Structural investigations, high temperature behavior and phase transition of $ Na_{6} $$ Ca_{4} $($ SO_{4} $)6$ F_{2} $
Abstract Polycrystalline material of a sulfate apatite with chemical composition $ Na_{6} $$ Ca_{4} $($ SO_{4} $)6$ F_{2} $ or ($ Na_{2} $$ Ca_{4} $)$ Na_{4} $($ SO_{4} $)6$ F_{2} $ has been synthesized by solid state reactions. Basic crystallographic data are as follows: hexagonal symmetry, a = 9.3...
Ausführliche Beschreibung
Gespeichert in:
| Autor*in: |
Botta, C. [verfasserIn] |
|---|
| Format: |
Artikel |
|---|---|
| Sprache: |
Englisch |
| Erschienen: |
2014 |
|---|
| Schlagwörter: |
|---|
| Systematik: |
|
|---|
| Anmerkung: |
© Springer-Verlag Wien 2014 |
|---|
| Übergeordnetes Werk: |
Enthalten in: Mineralogy and petrology - Springer Vienna, 1987, 108(2014), 4 vom: 08. Feb., Seite 487-501 |
|---|---|
| Übergeordnetes Werk: |
volume:108 ; year:2014 ; number:4 ; day:08 ; month:02 ; pages:487-501 |
| Links: |
|---|
| DOI / URN: |
10.1007/s00710-013-0319-x |
|---|
| Katalog-ID: |
OLC2062488416 |
|---|
| LEADER | 01000caa a22002652 4500 | ||
|---|---|---|---|
| 001 | OLC2062488416 | ||
| 003 | DE-627 | ||
| 005 | 20230502144418.0 | ||
| 007 | tu | ||
| 008 | 200820s2014 xx ||||| 00| ||eng c | ||
| 024 | 7 | |a 10.1007/s00710-013-0319-x |2 doi | |
| 035 | |a (DE-627)OLC2062488416 | ||
| 035 | |a (DE-He213)s00710-013-0319-x-p | ||
| 040 | |a DE-627 |b ger |c DE-627 |e rakwb | ||
| 041 | |a eng | ||
| 082 | 0 | 4 | |a 550 |q VZ |
| 084 | |a 13 |2 ssgn | ||
| 084 | |a TE 1000 |q VZ |2 rvk | ||
| 100 | 1 | |a Botta, C. |e verfasserin |4 aut | |
| 245 | 1 | 0 | |a Structural investigations, high temperature behavior and phase transition of $ Na_{6} $$ Ca_{4} $($ SO_{4} $)6$ F_{2} $ |
| 264 | 1 | |c 2014 | |
| 336 | |a Text |b txt |2 rdacontent | ||
| 337 | |a ohne Hilfsmittel zu benutzen |b n |2 rdamedia | ||
| 338 | |a Band |b nc |2 rdacarrier | ||
| 500 | |a © Springer-Verlag Wien 2014 | ||
| 520 | |a Abstract Polycrystalline material of a sulfate apatite with chemical composition $ Na_{6} $$ Ca_{4} $($ SO_{4} $)6$ F_{2} $ or ($ Na_{2} $$ Ca_{4} $)$ Na_{4} $($ SO_{4} $)6$ F_{2} $ has been synthesized by solid state reactions. Basic crystallographic data are as follows: hexagonal symmetry, a = 9.3976(1) Å, c = 6.8956(1) Å, V = 527.39(1) $ Å^{3} $, Z = 1, space group P$ 6_{3} $/m. For structural investigations the Rietveld method was employed. Thermal expansion has been studied between 25 and 600 °C. High temperature (HT) powder diffraction data as well as thermal analysis indicate that the apatite-type compound undergoes a reconstructive phase transition in the range between 610 and 630 °C. Single-crystals of the HT-polymorph were directly grown from the melt. Structural investigations based on single-crystal diffraction data of the quenched crystals performed at −100 °C showed orthorhombic symmetry (space group Pna$ 2_{1} $) with a = 12.7560(8) Å, b = 8.6930(4) Å, c = 9.8980(5) Å, V = 1097.57(10) $ Å^{3} $ and Z = 2. Unit cell parameters for a quenched polycrystalline sample of the HT-form obtained at ambient conditions from a LeBail-fit are as follows: a = 12.7875(1) Å, b = 8.7255(1) Å, c = 9.9261(1) Å, V = 1107.53(2) $ Å^{3} $. The lattice parameters of both modifications are related by the following approximate relationships: aHT ≈ 2cRT, bHT ≈ -(½aRT + bRT), cHT ≈ aRT. The HT-modification is isotypic with the corresponding potassium compound $ K_{6} $$ Ca_{4} $($ SO_{4} $)6$ F_{2} $. The pronounced disorder of the sulphate group even at low temperatures has been studied by maximum entropy calculations. Despite the first-order character of the transformation clusters of sulfate groups surrounding the fluorine anions can be identified in both polymorphs. Each of the three next neighbor $ SO_{4} $-tetrahedra within a cluster is in turn surrounded by 8–9 M-cations (M: Na,Ca) defining cage-like units. However, in the apatite structure the corresponding three tricapped trigonal prisms are symmetry equivalent. Furthermore, the central fluorine atom of each cluster is coordinated by three next M-neighbors ($ FM_{3} $-triangles), whereas in the HT-polymorph a four-fold coordination is observed ($ FM_{4} $-tetrahedra). | ||
| 650 | 4 | |a Apatite | |
| 650 | 4 | |a Sulfate Group | |
| 650 | 4 | |a Maximum Entropy Method | |
| 650 | 4 | |a Apatite Phase | |
| 650 | 4 | |a High Temperature Polymorph | |
| 700 | 1 | |a Kahlenberg, V. |4 aut | |
| 700 | 1 | |a Hejny, C. |4 aut | |
| 700 | 1 | |a Többens, D. M. |4 aut | |
| 700 | 1 | |a Bykov, M. |4 aut | |
| 700 | 1 | |a van Smaalen, S. |4 aut | |
| 773 | 0 | 8 | |i Enthalten in |t Mineralogy and petrology |d Springer Vienna, 1987 |g 108(2014), 4 vom: 08. Feb., Seite 487-501 |w (DE-627)129383856 |w (DE-600)166036-6 |w (DE-576)014770881 |x 0930-0708 |7 nnns |
| 773 | 1 | 8 | |g volume:108 |g year:2014 |g number:4 |g day:08 |g month:02 |g pages:487-501 |
| 856 | 4 | 1 | |u https://doi.org/10.1007/s00710-013-0319-x |z lizenzpflichtig |3 Volltext |
| 912 | |a GBV_USEFLAG_A | ||
| 912 | |a SYSFLAG_A | ||
| 912 | |a GBV_OLC | ||
| 912 | |a SSG-OLC-GEO | ||
| 912 | |a SSG-OPC-GGO | ||
| 912 | |a GBV_ILN_40 | ||
| 912 | |a GBV_ILN_70 | ||
| 912 | |a GBV_ILN_2027 | ||
| 912 | |a GBV_ILN_2399 | ||
| 912 | |a GBV_ILN_4306 | ||
| 936 | r | v | |a TE 1000 |
| 951 | |a AR | ||
| 952 | |d 108 |j 2014 |e 4 |b 08 |c 02 |h 487-501 | ||
| author_variant |
c b cb v k vk c h ch d m t dm dmt m b mb s s v ss ssv |
|---|---|
| matchkey_str |
article:09300708:2014----::tutrlnetgtosiheprtrbhvoadhstas |
| hierarchy_sort_str |
2014 |
| publishDate |
2014 |
| allfields |
10.1007/s00710-013-0319-x doi (DE-627)OLC2062488416 (DE-He213)s00710-013-0319-x-p DE-627 ger DE-627 rakwb eng 550 VZ 13 ssgn TE 1000 VZ rvk Botta, C. verfasserin aut Structural investigations, high temperature behavior and phase transition of $ Na_{6} $$ Ca_{4} $($ SO_{4} $)6$ F_{2} $ 2014 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Springer-Verlag Wien 2014 Abstract Polycrystalline material of a sulfate apatite with chemical composition $ Na_{6} $$ Ca_{4} $($ SO_{4} $)6$ F_{2} $ or ($ Na_{2} $$ Ca_{4} $)$ Na_{4} $($ SO_{4} $)6$ F_{2} $ has been synthesized by solid state reactions. Basic crystallographic data are as follows: hexagonal symmetry, a = 9.3976(1) Å, c = 6.8956(1) Å, V = 527.39(1) $ Å^{3} $, Z = 1, space group P$ 6_{3} $/m. For structural investigations the Rietveld method was employed. Thermal expansion has been studied between 25 and 600 °C. High temperature (HT) powder diffraction data as well as thermal analysis indicate that the apatite-type compound undergoes a reconstructive phase transition in the range between 610 and 630 °C. Single-crystals of the HT-polymorph were directly grown from the melt. Structural investigations based on single-crystal diffraction data of the quenched crystals performed at −100 °C showed orthorhombic symmetry (space group Pna$ 2_{1} $) with a = 12.7560(8) Å, b = 8.6930(4) Å, c = 9.8980(5) Å, V = 1097.57(10) $ Å^{3} $ and Z = 2. Unit cell parameters for a quenched polycrystalline sample of the HT-form obtained at ambient conditions from a LeBail-fit are as follows: a = 12.7875(1) Å, b = 8.7255(1) Å, c = 9.9261(1) Å, V = 1107.53(2) $ Å^{3} $. The lattice parameters of both modifications are related by the following approximate relationships: aHT ≈ 2cRT, bHT ≈ -(½aRT + bRT), cHT ≈ aRT. The HT-modification is isotypic with the corresponding potassium compound $ K_{6} $$ Ca_{4} $($ SO_{4} $)6$ F_{2} $. The pronounced disorder of the sulphate group even at low temperatures has been studied by maximum entropy calculations. Despite the first-order character of the transformation clusters of sulfate groups surrounding the fluorine anions can be identified in both polymorphs. Each of the three next neighbor $ SO_{4} $-tetrahedra within a cluster is in turn surrounded by 8–9 M-cations (M: Na,Ca) defining cage-like units. However, in the apatite structure the corresponding three tricapped trigonal prisms are symmetry equivalent. Furthermore, the central fluorine atom of each cluster is coordinated by three next M-neighbors ($ FM_{3} $-triangles), whereas in the HT-polymorph a four-fold coordination is observed ($ FM_{4} $-tetrahedra). Apatite Sulfate Group Maximum Entropy Method Apatite Phase High Temperature Polymorph Kahlenberg, V. aut Hejny, C. aut Többens, D. M. aut Bykov, M. aut van Smaalen, S. aut Enthalten in Mineralogy and petrology Springer Vienna, 1987 108(2014), 4 vom: 08. Feb., Seite 487-501 (DE-627)129383856 (DE-600)166036-6 (DE-576)014770881 0930-0708 nnns volume:108 year:2014 number:4 day:08 month:02 pages:487-501 https://doi.org/10.1007/s00710-013-0319-x lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-GEO SSG-OPC-GGO GBV_ILN_40 GBV_ILN_70 GBV_ILN_2027 GBV_ILN_2399 GBV_ILN_4306 TE 1000 AR 108 2014 4 08 02 487-501 |
| spelling |
10.1007/s00710-013-0319-x doi (DE-627)OLC2062488416 (DE-He213)s00710-013-0319-x-p DE-627 ger DE-627 rakwb eng 550 VZ 13 ssgn TE 1000 VZ rvk Botta, C. verfasserin aut Structural investigations, high temperature behavior and phase transition of $ Na_{6} $$ Ca_{4} $($ SO_{4} $)6$ F_{2} $ 2014 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Springer-Verlag Wien 2014 Abstract Polycrystalline material of a sulfate apatite with chemical composition $ Na_{6} $$ Ca_{4} $($ SO_{4} $)6$ F_{2} $ or ($ Na_{2} $$ Ca_{4} $)$ Na_{4} $($ SO_{4} $)6$ F_{2} $ has been synthesized by solid state reactions. Basic crystallographic data are as follows: hexagonal symmetry, a = 9.3976(1) Å, c = 6.8956(1) Å, V = 527.39(1) $ Å^{3} $, Z = 1, space group P$ 6_{3} $/m. For structural investigations the Rietveld method was employed. Thermal expansion has been studied between 25 and 600 °C. High temperature (HT) powder diffraction data as well as thermal analysis indicate that the apatite-type compound undergoes a reconstructive phase transition in the range between 610 and 630 °C. Single-crystals of the HT-polymorph were directly grown from the melt. Structural investigations based on single-crystal diffraction data of the quenched crystals performed at −100 °C showed orthorhombic symmetry (space group Pna$ 2_{1} $) with a = 12.7560(8) Å, b = 8.6930(4) Å, c = 9.8980(5) Å, V = 1097.57(10) $ Å^{3} $ and Z = 2. Unit cell parameters for a quenched polycrystalline sample of the HT-form obtained at ambient conditions from a LeBail-fit are as follows: a = 12.7875(1) Å, b = 8.7255(1) Å, c = 9.9261(1) Å, V = 1107.53(2) $ Å^{3} $. The lattice parameters of both modifications are related by the following approximate relationships: aHT ≈ 2cRT, bHT ≈ -(½aRT + bRT), cHT ≈ aRT. The HT-modification is isotypic with the corresponding potassium compound $ K_{6} $$ Ca_{4} $($ SO_{4} $)6$ F_{2} $. The pronounced disorder of the sulphate group even at low temperatures has been studied by maximum entropy calculations. Despite the first-order character of the transformation clusters of sulfate groups surrounding the fluorine anions can be identified in both polymorphs. Each of the three next neighbor $ SO_{4} $-tetrahedra within a cluster is in turn surrounded by 8–9 M-cations (M: Na,Ca) defining cage-like units. However, in the apatite structure the corresponding three tricapped trigonal prisms are symmetry equivalent. Furthermore, the central fluorine atom of each cluster is coordinated by three next M-neighbors ($ FM_{3} $-triangles), whereas in the HT-polymorph a four-fold coordination is observed ($ FM_{4} $-tetrahedra). Apatite Sulfate Group Maximum Entropy Method Apatite Phase High Temperature Polymorph Kahlenberg, V. aut Hejny, C. aut Többens, D. M. aut Bykov, M. aut van Smaalen, S. aut Enthalten in Mineralogy and petrology Springer Vienna, 1987 108(2014), 4 vom: 08. Feb., Seite 487-501 (DE-627)129383856 (DE-600)166036-6 (DE-576)014770881 0930-0708 nnns volume:108 year:2014 number:4 day:08 month:02 pages:487-501 https://doi.org/10.1007/s00710-013-0319-x lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-GEO SSG-OPC-GGO GBV_ILN_40 GBV_ILN_70 GBV_ILN_2027 GBV_ILN_2399 GBV_ILN_4306 TE 1000 AR 108 2014 4 08 02 487-501 |
| allfields_unstemmed |
10.1007/s00710-013-0319-x doi (DE-627)OLC2062488416 (DE-He213)s00710-013-0319-x-p DE-627 ger DE-627 rakwb eng 550 VZ 13 ssgn TE 1000 VZ rvk Botta, C. verfasserin aut Structural investigations, high temperature behavior and phase transition of $ Na_{6} $$ Ca_{4} $($ SO_{4} $)6$ F_{2} $ 2014 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Springer-Verlag Wien 2014 Abstract Polycrystalline material of a sulfate apatite with chemical composition $ Na_{6} $$ Ca_{4} $($ SO_{4} $)6$ F_{2} $ or ($ Na_{2} $$ Ca_{4} $)$ Na_{4} $($ SO_{4} $)6$ F_{2} $ has been synthesized by solid state reactions. Basic crystallographic data are as follows: hexagonal symmetry, a = 9.3976(1) Å, c = 6.8956(1) Å, V = 527.39(1) $ Å^{3} $, Z = 1, space group P$ 6_{3} $/m. For structural investigations the Rietveld method was employed. Thermal expansion has been studied between 25 and 600 °C. High temperature (HT) powder diffraction data as well as thermal analysis indicate that the apatite-type compound undergoes a reconstructive phase transition in the range between 610 and 630 °C. Single-crystals of the HT-polymorph were directly grown from the melt. Structural investigations based on single-crystal diffraction data of the quenched crystals performed at −100 °C showed orthorhombic symmetry (space group Pna$ 2_{1} $) with a = 12.7560(8) Å, b = 8.6930(4) Å, c = 9.8980(5) Å, V = 1097.57(10) $ Å^{3} $ and Z = 2. Unit cell parameters for a quenched polycrystalline sample of the HT-form obtained at ambient conditions from a LeBail-fit are as follows: a = 12.7875(1) Å, b = 8.7255(1) Å, c = 9.9261(1) Å, V = 1107.53(2) $ Å^{3} $. The lattice parameters of both modifications are related by the following approximate relationships: aHT ≈ 2cRT, bHT ≈ -(½aRT + bRT), cHT ≈ aRT. The HT-modification is isotypic with the corresponding potassium compound $ K_{6} $$ Ca_{4} $($ SO_{4} $)6$ F_{2} $. The pronounced disorder of the sulphate group even at low temperatures has been studied by maximum entropy calculations. Despite the first-order character of the transformation clusters of sulfate groups surrounding the fluorine anions can be identified in both polymorphs. Each of the three next neighbor $ SO_{4} $-tetrahedra within a cluster is in turn surrounded by 8–9 M-cations (M: Na,Ca) defining cage-like units. However, in the apatite structure the corresponding three tricapped trigonal prisms are symmetry equivalent. Furthermore, the central fluorine atom of each cluster is coordinated by three next M-neighbors ($ FM_{3} $-triangles), whereas in the HT-polymorph a four-fold coordination is observed ($ FM_{4} $-tetrahedra). Apatite Sulfate Group Maximum Entropy Method Apatite Phase High Temperature Polymorph Kahlenberg, V. aut Hejny, C. aut Többens, D. M. aut Bykov, M. aut van Smaalen, S. aut Enthalten in Mineralogy and petrology Springer Vienna, 1987 108(2014), 4 vom: 08. Feb., Seite 487-501 (DE-627)129383856 (DE-600)166036-6 (DE-576)014770881 0930-0708 nnns volume:108 year:2014 number:4 day:08 month:02 pages:487-501 https://doi.org/10.1007/s00710-013-0319-x lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-GEO SSG-OPC-GGO GBV_ILN_40 GBV_ILN_70 GBV_ILN_2027 GBV_ILN_2399 GBV_ILN_4306 TE 1000 AR 108 2014 4 08 02 487-501 |
| allfieldsGer |
10.1007/s00710-013-0319-x doi (DE-627)OLC2062488416 (DE-He213)s00710-013-0319-x-p DE-627 ger DE-627 rakwb eng 550 VZ 13 ssgn TE 1000 VZ rvk Botta, C. verfasserin aut Structural investigations, high temperature behavior and phase transition of $ Na_{6} $$ Ca_{4} $($ SO_{4} $)6$ F_{2} $ 2014 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Springer-Verlag Wien 2014 Abstract Polycrystalline material of a sulfate apatite with chemical composition $ Na_{6} $$ Ca_{4} $($ SO_{4} $)6$ F_{2} $ or ($ Na_{2} $$ Ca_{4} $)$ Na_{4} $($ SO_{4} $)6$ F_{2} $ has been synthesized by solid state reactions. Basic crystallographic data are as follows: hexagonal symmetry, a = 9.3976(1) Å, c = 6.8956(1) Å, V = 527.39(1) $ Å^{3} $, Z = 1, space group P$ 6_{3} $/m. For structural investigations the Rietveld method was employed. Thermal expansion has been studied between 25 and 600 °C. High temperature (HT) powder diffraction data as well as thermal analysis indicate that the apatite-type compound undergoes a reconstructive phase transition in the range between 610 and 630 °C. Single-crystals of the HT-polymorph were directly grown from the melt. Structural investigations based on single-crystal diffraction data of the quenched crystals performed at −100 °C showed orthorhombic symmetry (space group Pna$ 2_{1} $) with a = 12.7560(8) Å, b = 8.6930(4) Å, c = 9.8980(5) Å, V = 1097.57(10) $ Å^{3} $ and Z = 2. Unit cell parameters for a quenched polycrystalline sample of the HT-form obtained at ambient conditions from a LeBail-fit are as follows: a = 12.7875(1) Å, b = 8.7255(1) Å, c = 9.9261(1) Å, V = 1107.53(2) $ Å^{3} $. The lattice parameters of both modifications are related by the following approximate relationships: aHT ≈ 2cRT, bHT ≈ -(½aRT + bRT), cHT ≈ aRT. The HT-modification is isotypic with the corresponding potassium compound $ K_{6} $$ Ca_{4} $($ SO_{4} $)6$ F_{2} $. The pronounced disorder of the sulphate group even at low temperatures has been studied by maximum entropy calculations. Despite the first-order character of the transformation clusters of sulfate groups surrounding the fluorine anions can be identified in both polymorphs. Each of the three next neighbor $ SO_{4} $-tetrahedra within a cluster is in turn surrounded by 8–9 M-cations (M: Na,Ca) defining cage-like units. However, in the apatite structure the corresponding three tricapped trigonal prisms are symmetry equivalent. Furthermore, the central fluorine atom of each cluster is coordinated by three next M-neighbors ($ FM_{3} $-triangles), whereas in the HT-polymorph a four-fold coordination is observed ($ FM_{4} $-tetrahedra). Apatite Sulfate Group Maximum Entropy Method Apatite Phase High Temperature Polymorph Kahlenberg, V. aut Hejny, C. aut Többens, D. M. aut Bykov, M. aut van Smaalen, S. aut Enthalten in Mineralogy and petrology Springer Vienna, 1987 108(2014), 4 vom: 08. Feb., Seite 487-501 (DE-627)129383856 (DE-600)166036-6 (DE-576)014770881 0930-0708 nnns volume:108 year:2014 number:4 day:08 month:02 pages:487-501 https://doi.org/10.1007/s00710-013-0319-x lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-GEO SSG-OPC-GGO GBV_ILN_40 GBV_ILN_70 GBV_ILN_2027 GBV_ILN_2399 GBV_ILN_4306 TE 1000 AR 108 2014 4 08 02 487-501 |
| allfieldsSound |
10.1007/s00710-013-0319-x doi (DE-627)OLC2062488416 (DE-He213)s00710-013-0319-x-p DE-627 ger DE-627 rakwb eng 550 VZ 13 ssgn TE 1000 VZ rvk Botta, C. verfasserin aut Structural investigations, high temperature behavior and phase transition of $ Na_{6} $$ Ca_{4} $($ SO_{4} $)6$ F_{2} $ 2014 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Springer-Verlag Wien 2014 Abstract Polycrystalline material of a sulfate apatite with chemical composition $ Na_{6} $$ Ca_{4} $($ SO_{4} $)6$ F_{2} $ or ($ Na_{2} $$ Ca_{4} $)$ Na_{4} $($ SO_{4} $)6$ F_{2} $ has been synthesized by solid state reactions. Basic crystallographic data are as follows: hexagonal symmetry, a = 9.3976(1) Å, c = 6.8956(1) Å, V = 527.39(1) $ Å^{3} $, Z = 1, space group P$ 6_{3} $/m. For structural investigations the Rietveld method was employed. Thermal expansion has been studied between 25 and 600 °C. High temperature (HT) powder diffraction data as well as thermal analysis indicate that the apatite-type compound undergoes a reconstructive phase transition in the range between 610 and 630 °C. Single-crystals of the HT-polymorph were directly grown from the melt. Structural investigations based on single-crystal diffraction data of the quenched crystals performed at −100 °C showed orthorhombic symmetry (space group Pna$ 2_{1} $) with a = 12.7560(8) Å, b = 8.6930(4) Å, c = 9.8980(5) Å, V = 1097.57(10) $ Å^{3} $ and Z = 2. Unit cell parameters for a quenched polycrystalline sample of the HT-form obtained at ambient conditions from a LeBail-fit are as follows: a = 12.7875(1) Å, b = 8.7255(1) Å, c = 9.9261(1) Å, V = 1107.53(2) $ Å^{3} $. The lattice parameters of both modifications are related by the following approximate relationships: aHT ≈ 2cRT, bHT ≈ -(½aRT + bRT), cHT ≈ aRT. The HT-modification is isotypic with the corresponding potassium compound $ K_{6} $$ Ca_{4} $($ SO_{4} $)6$ F_{2} $. The pronounced disorder of the sulphate group even at low temperatures has been studied by maximum entropy calculations. Despite the first-order character of the transformation clusters of sulfate groups surrounding the fluorine anions can be identified in both polymorphs. Each of the three next neighbor $ SO_{4} $-tetrahedra within a cluster is in turn surrounded by 8–9 M-cations (M: Na,Ca) defining cage-like units. However, in the apatite structure the corresponding three tricapped trigonal prisms are symmetry equivalent. Furthermore, the central fluorine atom of each cluster is coordinated by three next M-neighbors ($ FM_{3} $-triangles), whereas in the HT-polymorph a four-fold coordination is observed ($ FM_{4} $-tetrahedra). Apatite Sulfate Group Maximum Entropy Method Apatite Phase High Temperature Polymorph Kahlenberg, V. aut Hejny, C. aut Többens, D. M. aut Bykov, M. aut van Smaalen, S. aut Enthalten in Mineralogy and petrology Springer Vienna, 1987 108(2014), 4 vom: 08. Feb., Seite 487-501 (DE-627)129383856 (DE-600)166036-6 (DE-576)014770881 0930-0708 nnns volume:108 year:2014 number:4 day:08 month:02 pages:487-501 https://doi.org/10.1007/s00710-013-0319-x lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-GEO SSG-OPC-GGO GBV_ILN_40 GBV_ILN_70 GBV_ILN_2027 GBV_ILN_2399 GBV_ILN_4306 TE 1000 AR 108 2014 4 08 02 487-501 |
| language |
English |
| source |
Enthalten in Mineralogy and petrology 108(2014), 4 vom: 08. Feb., Seite 487-501 volume:108 year:2014 number:4 day:08 month:02 pages:487-501 |
| sourceStr |
Enthalten in Mineralogy and petrology 108(2014), 4 vom: 08. Feb., Seite 487-501 volume:108 year:2014 number:4 day:08 month:02 pages:487-501 |
| format_phy_str_mv |
Article |
| institution |
findex.gbv.de |
| topic_facet |
Apatite Sulfate Group Maximum Entropy Method Apatite Phase High Temperature Polymorph |
| dewey-raw |
550 |
| isfreeaccess_bool |
false |
| container_title |
Mineralogy and petrology |
| authorswithroles_txt_mv |
Botta, C. @@aut@@ Kahlenberg, V. @@aut@@ Hejny, C. @@aut@@ Többens, D. M. @@aut@@ Bykov, M. @@aut@@ van Smaalen, S. @@aut@@ |
| publishDateDaySort_date |
2014-02-08T00:00:00Z |
| hierarchy_top_id |
129383856 |
| dewey-sort |
3550 |
| id |
OLC2062488416 |
| language_de |
englisch |
| fullrecord |
<?xml version="1.0" encoding="UTF-8"?><collection xmlns="http://www.loc.gov/MARC21/slim"><record><leader>01000caa a22002652 4500</leader><controlfield tag="001">OLC2062488416</controlfield><controlfield tag="003">DE-627</controlfield><controlfield tag="005">20230502144418.0</controlfield><controlfield tag="007">tu</controlfield><controlfield tag="008">200820s2014 xx ||||| 00| ||eng c</controlfield><datafield tag="024" ind1="7" ind2=" "><subfield code="a">10.1007/s00710-013-0319-x</subfield><subfield code="2">doi</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-627)OLC2062488416</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-He213)s00710-013-0319-x-p</subfield></datafield><datafield tag="040" ind1=" " ind2=" "><subfield code="a">DE-627</subfield><subfield code="b">ger</subfield><subfield code="c">DE-627</subfield><subfield code="e">rakwb</subfield></datafield><datafield tag="041" ind1=" " ind2=" "><subfield code="a">eng</subfield></datafield><datafield tag="082" ind1="0" ind2="4"><subfield code="a">550</subfield><subfield code="q">VZ</subfield></datafield><datafield tag="084" ind1=" " ind2=" "><subfield code="a">13</subfield><subfield code="2">ssgn</subfield></datafield><datafield tag="084" ind1=" " ind2=" "><subfield code="a">TE 1000</subfield><subfield code="q">VZ</subfield><subfield code="2">rvk</subfield></datafield><datafield tag="100" ind1="1" ind2=" "><subfield code="a">Botta, C.</subfield><subfield code="e">verfasserin</subfield><subfield code="4">aut</subfield></datafield><datafield tag="245" ind1="1" ind2="0"><subfield code="a">Structural investigations, high temperature behavior and phase transition of $ Na_{6} $$ Ca_{4} $($ SO_{4} $)6$ F_{2} $</subfield></datafield><datafield tag="264" ind1=" " ind2="1"><subfield code="c">2014</subfield></datafield><datafield tag="336" ind1=" " ind2=" "><subfield code="a">Text</subfield><subfield code="b">txt</subfield><subfield code="2">rdacontent</subfield></datafield><datafield tag="337" ind1=" " ind2=" "><subfield code="a">ohne Hilfsmittel zu benutzen</subfield><subfield code="b">n</subfield><subfield code="2">rdamedia</subfield></datafield><datafield tag="338" ind1=" " ind2=" "><subfield code="a">Band</subfield><subfield code="b">nc</subfield><subfield code="2">rdacarrier</subfield></datafield><datafield tag="500" ind1=" " ind2=" "><subfield code="a">© Springer-Verlag Wien 2014</subfield></datafield><datafield tag="520" ind1=" " ind2=" "><subfield code="a">Abstract Polycrystalline material of a sulfate apatite with chemical composition $ Na_{6} $$ Ca_{4} $($ SO_{4} $)6$ F_{2} $ or ($ Na_{2} $$ Ca_{4} $)$ Na_{4} $($ SO_{4} $)6$ F_{2} $ has been synthesized by solid state reactions. Basic crystallographic data are as follows: hexagonal symmetry, a = 9.3976(1) Å, c = 6.8956(1) Å, V = 527.39(1) $ Å^{3} $, Z = 1, space group P$ 6_{3} $/m. For structural investigations the Rietveld method was employed. Thermal expansion has been studied between 25 and 600 °C. High temperature (HT) powder diffraction data as well as thermal analysis indicate that the apatite-type compound undergoes a reconstructive phase transition in the range between 610 and 630 °C. Single-crystals of the HT-polymorph were directly grown from the melt. Structural investigations based on single-crystal diffraction data of the quenched crystals performed at −100 °C showed orthorhombic symmetry (space group Pna$ 2_{1} $) with a = 12.7560(8) Å, b = 8.6930(4) Å, c = 9.8980(5) Å, V = 1097.57(10) $ Å^{3} $ and Z = 2. Unit cell parameters for a quenched polycrystalline sample of the HT-form obtained at ambient conditions from a LeBail-fit are as follows: a = 12.7875(1) Å, b = 8.7255(1) Å, c = 9.9261(1) Å, V = 1107.53(2) $ Å^{3} $. The lattice parameters of both modifications are related by the following approximate relationships: aHT ≈ 2cRT, bHT ≈ -(½aRT + bRT), cHT ≈ aRT. The HT-modification is isotypic with the corresponding potassium compound $ K_{6} $$ Ca_{4} $($ SO_{4} $)6$ F_{2} $. The pronounced disorder of the sulphate group even at low temperatures has been studied by maximum entropy calculations. Despite the first-order character of the transformation clusters of sulfate groups surrounding the fluorine anions can be identified in both polymorphs. Each of the three next neighbor $ SO_{4} $-tetrahedra within a cluster is in turn surrounded by 8–9 M-cations (M: Na,Ca) defining cage-like units. However, in the apatite structure the corresponding three tricapped trigonal prisms are symmetry equivalent. Furthermore, the central fluorine atom of each cluster is coordinated by three next M-neighbors ($ FM_{3} $-triangles), whereas in the HT-polymorph a four-fold coordination is observed ($ FM_{4} $-tetrahedra).</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Apatite</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Sulfate Group</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Maximum Entropy Method</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Apatite Phase</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">High Temperature Polymorph</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Kahlenberg, V.</subfield><subfield code="4">aut</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Hejny, C.</subfield><subfield code="4">aut</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Többens, D. M.</subfield><subfield code="4">aut</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Bykov, M.</subfield><subfield code="4">aut</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">van Smaalen, S.</subfield><subfield code="4">aut</subfield></datafield><datafield tag="773" ind1="0" ind2="8"><subfield code="i">Enthalten in</subfield><subfield code="t">Mineralogy and petrology</subfield><subfield code="d">Springer Vienna, 1987</subfield><subfield code="g">108(2014), 4 vom: 08. Feb., Seite 487-501</subfield><subfield code="w">(DE-627)129383856</subfield><subfield code="w">(DE-600)166036-6</subfield><subfield code="w">(DE-576)014770881</subfield><subfield code="x">0930-0708</subfield><subfield code="7">nnns</subfield></datafield><datafield tag="773" ind1="1" ind2="8"><subfield code="g">volume:108</subfield><subfield code="g">year:2014</subfield><subfield code="g">number:4</subfield><subfield code="g">day:08</subfield><subfield code="g">month:02</subfield><subfield code="g">pages:487-501</subfield></datafield><datafield tag="856" ind1="4" ind2="1"><subfield code="u">https://doi.org/10.1007/s00710-013-0319-x</subfield><subfield code="z">lizenzpflichtig</subfield><subfield code="3">Volltext</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_USEFLAG_A</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SYSFLAG_A</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_OLC</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SSG-OLC-GEO</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SSG-OPC-GGO</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_40</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_70</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2027</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2399</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4306</subfield></datafield><datafield tag="936" ind1="r" ind2="v"><subfield code="a">TE 1000</subfield></datafield><datafield tag="951" ind1=" " ind2=" "><subfield code="a">AR</subfield></datafield><datafield tag="952" ind1=" " ind2=" "><subfield code="d">108</subfield><subfield code="j">2014</subfield><subfield code="e">4</subfield><subfield code="b">08</subfield><subfield code="c">02</subfield><subfield code="h">487-501</subfield></datafield></record></collection>
|
| author |
Botta, C. |
| spellingShingle |
Botta, C. ddc 550 ssgn 13 rvk TE 1000 misc Apatite misc Sulfate Group misc Maximum Entropy Method misc Apatite Phase misc High Temperature Polymorph Structural investigations, high temperature behavior and phase transition of $ Na_{6} $$ Ca_{4} $($ SO_{4} $)6$ F_{2} $ |
| authorStr |
Botta, C. |
| ppnlink_with_tag_str_mv |
@@773@@(DE-627)129383856 |
| format |
Article |
| dewey-ones |
550 - Earth sciences |
| delete_txt_mv |
keep |
| author_role |
aut aut aut aut aut aut |
| collection |
OLC |
| remote_str |
false |
| illustrated |
Not Illustrated |
| issn |
0930-0708 |
| topic_title |
550 VZ 13 ssgn TE 1000 VZ rvk Structural investigations, high temperature behavior and phase transition of $ Na_{6} $$ Ca_{4} $($ SO_{4} $)6$ F_{2} $ Apatite Sulfate Group Maximum Entropy Method Apatite Phase High Temperature Polymorph |
| topic |
ddc 550 ssgn 13 rvk TE 1000 misc Apatite misc Sulfate Group misc Maximum Entropy Method misc Apatite Phase misc High Temperature Polymorph |
| topic_unstemmed |
ddc 550 ssgn 13 rvk TE 1000 misc Apatite misc Sulfate Group misc Maximum Entropy Method misc Apatite Phase misc High Temperature Polymorph |
| topic_browse |
ddc 550 ssgn 13 rvk TE 1000 misc Apatite misc Sulfate Group misc Maximum Entropy Method misc Apatite Phase misc High Temperature Polymorph |
| format_facet |
Aufsätze Gedruckte Aufsätze |
| format_main_str_mv |
Text Zeitschrift/Artikel |
| carriertype_str_mv |
nc |
| hierarchy_parent_title |
Mineralogy and petrology |
| hierarchy_parent_id |
129383856 |
| dewey-tens |
550 - Earth sciences & geology |
| hierarchy_top_title |
Mineralogy and petrology |
| isfreeaccess_txt |
false |
| familylinks_str_mv |
(DE-627)129383856 (DE-600)166036-6 (DE-576)014770881 |
| title |
Structural investigations, high temperature behavior and phase transition of $ Na_{6} $$ Ca_{4} $($ SO_{4} $)6$ F_{2} $ |
| ctrlnum |
(DE-627)OLC2062488416 (DE-He213)s00710-013-0319-x-p |
| title_full |
Structural investigations, high temperature behavior and phase transition of $ Na_{6} $$ Ca_{4} $($ SO_{4} $)6$ F_{2} $ |
| author_sort |
Botta, C. |
| journal |
Mineralogy and petrology |
| journalStr |
Mineralogy and petrology |
| lang_code |
eng |
| isOA_bool |
false |
| dewey-hundreds |
500 - Science |
| recordtype |
marc |
| publishDateSort |
2014 |
| contenttype_str_mv |
txt |
| container_start_page |
487 |
| author_browse |
Botta, C. Kahlenberg, V. Hejny, C. Többens, D. M. Bykov, M. van Smaalen, S. |
| container_volume |
108 |
| class |
550 VZ 13 ssgn TE 1000 VZ rvk |
| format_se |
Aufsätze |
| author-letter |
Botta, C. |
| doi_str_mv |
10.1007/s00710-013-0319-x |
| dewey-full |
550 |
| title_sort |
structural investigations, high temperature behavior and phase transition of $ na_{6} $$ ca_{4} $($ so_{4} $)6$ f_{2} $ |
| title_auth |
Structural investigations, high temperature behavior and phase transition of $ Na_{6} $$ Ca_{4} $($ SO_{4} $)6$ F_{2} $ |
| abstract |
Abstract Polycrystalline material of a sulfate apatite with chemical composition $ Na_{6} $$ Ca_{4} $($ SO_{4} $)6$ F_{2} $ or ($ Na_{2} $$ Ca_{4} $)$ Na_{4} $($ SO_{4} $)6$ F_{2} $ has been synthesized by solid state reactions. Basic crystallographic data are as follows: hexagonal symmetry, a = 9.3976(1) Å, c = 6.8956(1) Å, V = 527.39(1) $ Å^{3} $, Z = 1, space group P$ 6_{3} $/m. For structural investigations the Rietveld method was employed. Thermal expansion has been studied between 25 and 600 °C. High temperature (HT) powder diffraction data as well as thermal analysis indicate that the apatite-type compound undergoes a reconstructive phase transition in the range between 610 and 630 °C. Single-crystals of the HT-polymorph were directly grown from the melt. Structural investigations based on single-crystal diffraction data of the quenched crystals performed at −100 °C showed orthorhombic symmetry (space group Pna$ 2_{1} $) with a = 12.7560(8) Å, b = 8.6930(4) Å, c = 9.8980(5) Å, V = 1097.57(10) $ Å^{3} $ and Z = 2. Unit cell parameters for a quenched polycrystalline sample of the HT-form obtained at ambient conditions from a LeBail-fit are as follows: a = 12.7875(1) Å, b = 8.7255(1) Å, c = 9.9261(1) Å, V = 1107.53(2) $ Å^{3} $. The lattice parameters of both modifications are related by the following approximate relationships: aHT ≈ 2cRT, bHT ≈ -(½aRT + bRT), cHT ≈ aRT. The HT-modification is isotypic with the corresponding potassium compound $ K_{6} $$ Ca_{4} $($ SO_{4} $)6$ F_{2} $. The pronounced disorder of the sulphate group even at low temperatures has been studied by maximum entropy calculations. Despite the first-order character of the transformation clusters of sulfate groups surrounding the fluorine anions can be identified in both polymorphs. Each of the three next neighbor $ SO_{4} $-tetrahedra within a cluster is in turn surrounded by 8–9 M-cations (M: Na,Ca) defining cage-like units. However, in the apatite structure the corresponding three tricapped trigonal prisms are symmetry equivalent. Furthermore, the central fluorine atom of each cluster is coordinated by three next M-neighbors ($ FM_{3} $-triangles), whereas in the HT-polymorph a four-fold coordination is observed ($ FM_{4} $-tetrahedra). © Springer-Verlag Wien 2014 |
| abstractGer |
Abstract Polycrystalline material of a sulfate apatite with chemical composition $ Na_{6} $$ Ca_{4} $($ SO_{4} $)6$ F_{2} $ or ($ Na_{2} $$ Ca_{4} $)$ Na_{4} $($ SO_{4} $)6$ F_{2} $ has been synthesized by solid state reactions. Basic crystallographic data are as follows: hexagonal symmetry, a = 9.3976(1) Å, c = 6.8956(1) Å, V = 527.39(1) $ Å^{3} $, Z = 1, space group P$ 6_{3} $/m. For structural investigations the Rietveld method was employed. Thermal expansion has been studied between 25 and 600 °C. High temperature (HT) powder diffraction data as well as thermal analysis indicate that the apatite-type compound undergoes a reconstructive phase transition in the range between 610 and 630 °C. Single-crystals of the HT-polymorph were directly grown from the melt. Structural investigations based on single-crystal diffraction data of the quenched crystals performed at −100 °C showed orthorhombic symmetry (space group Pna$ 2_{1} $) with a = 12.7560(8) Å, b = 8.6930(4) Å, c = 9.8980(5) Å, V = 1097.57(10) $ Å^{3} $ and Z = 2. Unit cell parameters for a quenched polycrystalline sample of the HT-form obtained at ambient conditions from a LeBail-fit are as follows: a = 12.7875(1) Å, b = 8.7255(1) Å, c = 9.9261(1) Å, V = 1107.53(2) $ Å^{3} $. The lattice parameters of both modifications are related by the following approximate relationships: aHT ≈ 2cRT, bHT ≈ -(½aRT + bRT), cHT ≈ aRT. The HT-modification is isotypic with the corresponding potassium compound $ K_{6} $$ Ca_{4} $($ SO_{4} $)6$ F_{2} $. The pronounced disorder of the sulphate group even at low temperatures has been studied by maximum entropy calculations. Despite the first-order character of the transformation clusters of sulfate groups surrounding the fluorine anions can be identified in both polymorphs. Each of the three next neighbor $ SO_{4} $-tetrahedra within a cluster is in turn surrounded by 8–9 M-cations (M: Na,Ca) defining cage-like units. However, in the apatite structure the corresponding three tricapped trigonal prisms are symmetry equivalent. Furthermore, the central fluorine atom of each cluster is coordinated by three next M-neighbors ($ FM_{3} $-triangles), whereas in the HT-polymorph a four-fold coordination is observed ($ FM_{4} $-tetrahedra). © Springer-Verlag Wien 2014 |
| abstract_unstemmed |
Abstract Polycrystalline material of a sulfate apatite with chemical composition $ Na_{6} $$ Ca_{4} $($ SO_{4} $)6$ F_{2} $ or ($ Na_{2} $$ Ca_{4} $)$ Na_{4} $($ SO_{4} $)6$ F_{2} $ has been synthesized by solid state reactions. Basic crystallographic data are as follows: hexagonal symmetry, a = 9.3976(1) Å, c = 6.8956(1) Å, V = 527.39(1) $ Å^{3} $, Z = 1, space group P$ 6_{3} $/m. For structural investigations the Rietveld method was employed. Thermal expansion has been studied between 25 and 600 °C. High temperature (HT) powder diffraction data as well as thermal analysis indicate that the apatite-type compound undergoes a reconstructive phase transition in the range between 610 and 630 °C. Single-crystals of the HT-polymorph were directly grown from the melt. Structural investigations based on single-crystal diffraction data of the quenched crystals performed at −100 °C showed orthorhombic symmetry (space group Pna$ 2_{1} $) with a = 12.7560(8) Å, b = 8.6930(4) Å, c = 9.8980(5) Å, V = 1097.57(10) $ Å^{3} $ and Z = 2. Unit cell parameters for a quenched polycrystalline sample of the HT-form obtained at ambient conditions from a LeBail-fit are as follows: a = 12.7875(1) Å, b = 8.7255(1) Å, c = 9.9261(1) Å, V = 1107.53(2) $ Å^{3} $. The lattice parameters of both modifications are related by the following approximate relationships: aHT ≈ 2cRT, bHT ≈ -(½aRT + bRT), cHT ≈ aRT. The HT-modification is isotypic with the corresponding potassium compound $ K_{6} $$ Ca_{4} $($ SO_{4} $)6$ F_{2} $. The pronounced disorder of the sulphate group even at low temperatures has been studied by maximum entropy calculations. Despite the first-order character of the transformation clusters of sulfate groups surrounding the fluorine anions can be identified in both polymorphs. Each of the three next neighbor $ SO_{4} $-tetrahedra within a cluster is in turn surrounded by 8–9 M-cations (M: Na,Ca) defining cage-like units. However, in the apatite structure the corresponding three tricapped trigonal prisms are symmetry equivalent. Furthermore, the central fluorine atom of each cluster is coordinated by three next M-neighbors ($ FM_{3} $-triangles), whereas in the HT-polymorph a four-fold coordination is observed ($ FM_{4} $-tetrahedra). © Springer-Verlag Wien 2014 |
| collection_details |
GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-GEO SSG-OPC-GGO GBV_ILN_40 GBV_ILN_70 GBV_ILN_2027 GBV_ILN_2399 GBV_ILN_4306 |
| container_issue |
4 |
| title_short |
Structural investigations, high temperature behavior and phase transition of $ Na_{6} $$ Ca_{4} $($ SO_{4} $)6$ F_{2} $ |
| url |
https://doi.org/10.1007/s00710-013-0319-x |
| remote_bool |
false |
| author2 |
Kahlenberg, V. Hejny, C. Többens, D. M. Bykov, M. van Smaalen, S. |
| author2Str |
Kahlenberg, V. Hejny, C. Többens, D. M. Bykov, M. van Smaalen, S. |
| ppnlink |
129383856 |
| mediatype_str_mv |
n |
| isOA_txt |
false |
| hochschulschrift_bool |
false |
| doi_str |
10.1007/s00710-013-0319-x |
| up_date |
2024-07-03T15:15:50.810Z |
| _version_ |
1803571430227443712 |
| fullrecord_marcxml |
<?xml version="1.0" encoding="UTF-8"?><collection xmlns="http://www.loc.gov/MARC21/slim"><record><leader>01000caa a22002652 4500</leader><controlfield tag="001">OLC2062488416</controlfield><controlfield tag="003">DE-627</controlfield><controlfield tag="005">20230502144418.0</controlfield><controlfield tag="007">tu</controlfield><controlfield tag="008">200820s2014 xx ||||| 00| ||eng c</controlfield><datafield tag="024" ind1="7" ind2=" "><subfield code="a">10.1007/s00710-013-0319-x</subfield><subfield code="2">doi</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-627)OLC2062488416</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-He213)s00710-013-0319-x-p</subfield></datafield><datafield tag="040" ind1=" " ind2=" "><subfield code="a">DE-627</subfield><subfield code="b">ger</subfield><subfield code="c">DE-627</subfield><subfield code="e">rakwb</subfield></datafield><datafield tag="041" ind1=" " ind2=" "><subfield code="a">eng</subfield></datafield><datafield tag="082" ind1="0" ind2="4"><subfield code="a">550</subfield><subfield code="q">VZ</subfield></datafield><datafield tag="084" ind1=" " ind2=" "><subfield code="a">13</subfield><subfield code="2">ssgn</subfield></datafield><datafield tag="084" ind1=" " ind2=" "><subfield code="a">TE 1000</subfield><subfield code="q">VZ</subfield><subfield code="2">rvk</subfield></datafield><datafield tag="100" ind1="1" ind2=" "><subfield code="a">Botta, C.</subfield><subfield code="e">verfasserin</subfield><subfield code="4">aut</subfield></datafield><datafield tag="245" ind1="1" ind2="0"><subfield code="a">Structural investigations, high temperature behavior and phase transition of $ Na_{6} $$ Ca_{4} $($ SO_{4} $)6$ F_{2} $</subfield></datafield><datafield tag="264" ind1=" " ind2="1"><subfield code="c">2014</subfield></datafield><datafield tag="336" ind1=" " ind2=" "><subfield code="a">Text</subfield><subfield code="b">txt</subfield><subfield code="2">rdacontent</subfield></datafield><datafield tag="337" ind1=" " ind2=" "><subfield code="a">ohne Hilfsmittel zu benutzen</subfield><subfield code="b">n</subfield><subfield code="2">rdamedia</subfield></datafield><datafield tag="338" ind1=" " ind2=" "><subfield code="a">Band</subfield><subfield code="b">nc</subfield><subfield code="2">rdacarrier</subfield></datafield><datafield tag="500" ind1=" " ind2=" "><subfield code="a">© Springer-Verlag Wien 2014</subfield></datafield><datafield tag="520" ind1=" " ind2=" "><subfield code="a">Abstract Polycrystalline material of a sulfate apatite with chemical composition $ Na_{6} $$ Ca_{4} $($ SO_{4} $)6$ F_{2} $ or ($ Na_{2} $$ Ca_{4} $)$ Na_{4} $($ SO_{4} $)6$ F_{2} $ has been synthesized by solid state reactions. Basic crystallographic data are as follows: hexagonal symmetry, a = 9.3976(1) Å, c = 6.8956(1) Å, V = 527.39(1) $ Å^{3} $, Z = 1, space group P$ 6_{3} $/m. For structural investigations the Rietveld method was employed. Thermal expansion has been studied between 25 and 600 °C. High temperature (HT) powder diffraction data as well as thermal analysis indicate that the apatite-type compound undergoes a reconstructive phase transition in the range between 610 and 630 °C. Single-crystals of the HT-polymorph were directly grown from the melt. Structural investigations based on single-crystal diffraction data of the quenched crystals performed at −100 °C showed orthorhombic symmetry (space group Pna$ 2_{1} $) with a = 12.7560(8) Å, b = 8.6930(4) Å, c = 9.8980(5) Å, V = 1097.57(10) $ Å^{3} $ and Z = 2. Unit cell parameters for a quenched polycrystalline sample of the HT-form obtained at ambient conditions from a LeBail-fit are as follows: a = 12.7875(1) Å, b = 8.7255(1) Å, c = 9.9261(1) Å, V = 1107.53(2) $ Å^{3} $. The lattice parameters of both modifications are related by the following approximate relationships: aHT ≈ 2cRT, bHT ≈ -(½aRT + bRT), cHT ≈ aRT. The HT-modification is isotypic with the corresponding potassium compound $ K_{6} $$ Ca_{4} $($ SO_{4} $)6$ F_{2} $. The pronounced disorder of the sulphate group even at low temperatures has been studied by maximum entropy calculations. Despite the first-order character of the transformation clusters of sulfate groups surrounding the fluorine anions can be identified in both polymorphs. Each of the three next neighbor $ SO_{4} $-tetrahedra within a cluster is in turn surrounded by 8–9 M-cations (M: Na,Ca) defining cage-like units. However, in the apatite structure the corresponding three tricapped trigonal prisms are symmetry equivalent. Furthermore, the central fluorine atom of each cluster is coordinated by three next M-neighbors ($ FM_{3} $-triangles), whereas in the HT-polymorph a four-fold coordination is observed ($ FM_{4} $-tetrahedra).</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Apatite</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Sulfate Group</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Maximum Entropy Method</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Apatite Phase</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">High Temperature Polymorph</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Kahlenberg, V.</subfield><subfield code="4">aut</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Hejny, C.</subfield><subfield code="4">aut</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Többens, D. M.</subfield><subfield code="4">aut</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Bykov, M.</subfield><subfield code="4">aut</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">van Smaalen, S.</subfield><subfield code="4">aut</subfield></datafield><datafield tag="773" ind1="0" ind2="8"><subfield code="i">Enthalten in</subfield><subfield code="t">Mineralogy and petrology</subfield><subfield code="d">Springer Vienna, 1987</subfield><subfield code="g">108(2014), 4 vom: 08. Feb., Seite 487-501</subfield><subfield code="w">(DE-627)129383856</subfield><subfield code="w">(DE-600)166036-6</subfield><subfield code="w">(DE-576)014770881</subfield><subfield code="x">0930-0708</subfield><subfield code="7">nnns</subfield></datafield><datafield tag="773" ind1="1" ind2="8"><subfield code="g">volume:108</subfield><subfield code="g">year:2014</subfield><subfield code="g">number:4</subfield><subfield code="g">day:08</subfield><subfield code="g">month:02</subfield><subfield code="g">pages:487-501</subfield></datafield><datafield tag="856" ind1="4" ind2="1"><subfield code="u">https://doi.org/10.1007/s00710-013-0319-x</subfield><subfield code="z">lizenzpflichtig</subfield><subfield code="3">Volltext</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_USEFLAG_A</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SYSFLAG_A</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_OLC</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SSG-OLC-GEO</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SSG-OPC-GGO</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_40</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_70</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2027</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2399</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4306</subfield></datafield><datafield tag="936" ind1="r" ind2="v"><subfield code="a">TE 1000</subfield></datafield><datafield tag="951" ind1=" " ind2=" "><subfield code="a">AR</subfield></datafield><datafield tag="952" ind1=" " ind2=" "><subfield code="d">108</subfield><subfield code="j">2014</subfield><subfield code="e">4</subfield><subfield code="b">08</subfield><subfield code="c">02</subfield><subfield code="h">487-501</subfield></datafield></record></collection>
|
| score |
7.3983116 |