Ca5Zr3F22
Single crystals of Ca5Zr3F22, pentacalcium trizirconium docosafluoride, were obtained unexpectedly by solid-state reaction between CaF2 and ZrF4 in the presence of AgF. The structure of the title compound is isotypic with that of Sr5Zr3F22 and can be described as being composed of layers with compos...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2012-04-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536812008495 |
| _version_ | 1798025806105018368 |
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| author | Abdelghani Oudahmane Malika El-Ghozzi Daniel Avignant |
| author_facet | Abdelghani Oudahmane Malika El-Ghozzi Daniel Avignant |
| author_sort | Abdelghani Oudahmane |
| collection | DOAJ |
| description | Single crystals of Ca5Zr3F22, pentacalcium trizirconium docosafluoride, were obtained unexpectedly by solid-state reaction between CaF2 and ZrF4 in the presence of AgF. The structure of the title compound is isotypic with that of Sr5Zr3F22 and can be described as being composed of layers with composition [Zr3F20]8− made up from two different [ZrF8]4− square antiprisms (one with site symmetry 2) by corner-sharing. The layers extending parallel to the (001) plane are further linked by Ca2+ cations, forming a three-dimensional network. Amongst the four crystallographically different Ca2+ ions, three are located on twofold rotation axes. The Ca2+ ions exhibit coordination numbers ranging from 8 to 12, depending on the cut off, with very distorted fluorine environments. Two of the Ca2+ ions occupy interstices between the layers whereas the other two are located in void spaces of the [Zr3F20]8− layer and alternate with the two Zr atoms along [010]. The crystal under investigation was an inversion twin. |
| first_indexed | 2024-04-11T18:24:46Z |
| format | Article |
| id | doaj.art-f1369edf954c42d2b95e6eb8376d32a1 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-04-11T18:24:46Z |
| publishDate | 2012-04-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-f1369edf954c42d2b95e6eb8376d32a12022-12-22T04:09:40ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682012-04-01684i23i2310.1107/S1600536812008495Ca5Zr3F22Abdelghani OudahmaneMalika El-GhozziDaniel AvignantSingle crystals of Ca5Zr3F22, pentacalcium trizirconium docosafluoride, were obtained unexpectedly by solid-state reaction between CaF2 and ZrF4 in the presence of AgF. The structure of the title compound is isotypic with that of Sr5Zr3F22 and can be described as being composed of layers with composition [Zr3F20]8− made up from two different [ZrF8]4− square antiprisms (one with site symmetry 2) by corner-sharing. The layers extending parallel to the (001) plane are further linked by Ca2+ cations, forming a three-dimensional network. Amongst the four crystallographically different Ca2+ ions, three are located on twofold rotation axes. The Ca2+ ions exhibit coordination numbers ranging from 8 to 12, depending on the cut off, with very distorted fluorine environments. Two of the Ca2+ ions occupy interstices between the layers whereas the other two are located in void spaces of the [Zr3F20]8− layer and alternate with the two Zr atoms along [010]. The crystal under investigation was an inversion twin.http://scripts.iucr.org/cgi-bin/paper?S1600536812008495 |
| spellingShingle | Abdelghani Oudahmane Malika El-Ghozzi Daniel Avignant Ca5Zr3F22 Acta Crystallographica Section E |
| title | Ca5Zr3F22 |
| title_full | Ca5Zr3F22 |
| title_fullStr | Ca5Zr3F22 |
| title_full_unstemmed | Ca5Zr3F22 |
| title_short | Ca5Zr3F22 |
| title_sort | ca5zr3f22 |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536812008495 |
| work_keys_str_mv | AT abdelghanioudahmane ca5zr3f22 AT malikaelghozzi ca5zr3f22 AT danielavignant ca5zr3f22 |