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Information card for entry 8103064
Preview
| Coordinates | 8103064.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ca5.45 F1.55 Li3.55 O12.45 Si3 |
|---|---|
| Calculated formula | Ca5.445 F1.5 Li3.555 O12.5 Si3 |
| Title of publication | Ca5.45Li3.55[SiO4]3O0.45F1.55 and Ca7K[SiO4]3F3: single-crystal synthesis and structures of two trigonal oxyfluorides |
| Authors of publication | Krüger, Hannes |
| Journal of publication | Zeitschrift für Kristallographie - Crystalline Materials |
| Year of publication | 2010 |
| Journal volume | 225 |
| Journal issue | 10 |
| Pages of publication | 418 - 424 |
| a | 7.1365 ± 0.0006 Å |
| b | 7.1365 ± 0.0006 Å |
| c | 41.459 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1828.6 ± 0.3 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 5 |
| Space group number | 166 |
| Hermann-Mauguin space group symbol | R -3 m :H |
| Hall space group symbol | -R 3 2" |
| Residual factor for all reflections | 0.0327 |
| Residual factor for significantly intense reflections | 0.0301 |
| Weighted residual factors for significantly intense reflections | 0.0432 |
| Weighted residual factors for all reflections included in the refinement | 0.0436 |
| Goodness-of-fit parameter for significantly intense reflections | 3.44 |
| Goodness-of-fit parameter for all reflections included in the refinement | 3.33 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211175 (current) | 2018-09-26 | cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8. |
8103064.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
8103064.cif |
| 100881 | 2014-02-08 | cif/8/10/ (antanas@lokys.ibt.lt) Adding _journal_paper_doi and changing journal name to a more specific one. |
8103064.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8103064.cif |
| 22797 | 2011-07-21 | ../uploads/cif-deposit/cod/cif Adding structures of 8103064 via cif-deposit CGI script. |
8103064.cif |
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Users of the data should acknowledge the original authors of the
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