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Information card for entry 2019697
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| Coordinates | 2019697.cif |
|---|---|
| Structure factors | 2019697.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tricaesium sodium nonagermanide‒ammonia (1/5.3) |
|---|---|
| Formula | Cs3.2 Ge9 H15.89 N5.3 Na0.8 |
| Calculated formula | Cs3.205 Ge9 N5.295 Na0.795 |
| Title of publication | Coordination preferences of the alkali cations sodium and caesium in the mixed-cationic Zintl ammoniate Cs~3.2~Na~0.8~Ge~9~·5.3NH~3~ |
| Authors of publication | Gärtner, Stefanie; Suchentrunk, Christof; Korber, Nikolaus |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 11 |
| Pages of publication | 1036 - 1039 |
| a | 13.535 ± 0.005 Å |
| b | 18.982 ± 0.005 Å |
| c | 19.08 ± 0.005 Å |
| α | 90° |
| β | 90.06 ± 0.005° |
| γ | 90° |
| Cell volume | 4902 ± 3 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.0405 |
| Residual factor for significantly intense reflections | 0.0365 |
| Weighted residual factors for significantly intense reflections | 0.0896 |
| Weighted residual factors for all reflections included in the refinement | 0.0914 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181866 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/96. |
2019697.cif 2019697.hkl |
| 180864 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/96. |
2019697.cif 2019697.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2019697.cif 2019697.hkl |
| 128093 | 2014-12-04 | cif/ Updating files of 2019697 Original log message: Adding full bibliography for 2019697.cif. |
2019697.cif 2019697.hkl |
| 125270 | 2014-10-12 | cif/ hkl/ Adding structures of 2019697 via cif-deposit CGI script. |
2019697.cif 2019697.hkl |
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