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Information card for entry 2018787
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| Coordinates | 2018787.cif |
|---|---|
| Structure factors | 2018787.hkl |
| Original IUCr paper | HTML |
| Chemical name | Copper scandium zirconium phosphate |
|---|---|
| Formula | Cu1.92 O12 P3 Sc Zr |
| Calculated formula | Cu1.926 O12 P3 Sc Zr |
| Title of publication | Copper scandium zirconium phosphate: occupancy of the <i>M</i>1 and <i>M</i>2 sites in the temperature range 100‒300K |
| Authors of publication | Bond, Andrew D.; Warner, Terence E. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 2 |
| Pages of publication | 105 - 110 |
| a | 8.9206 ± 0.0007 Å |
| b | 8.9206 ± 0.0007 Å |
| c | 22.071 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1521 ± 0.2 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 167 |
| Hermann-Mauguin space group symbol | R -3 c :H |
| Hall space group symbol | -R 3 2"c |
| Residual factor for all reflections | 0.0253 |
| Residual factor for significantly intense reflections | 0.0226 |
| Weighted residual factors for significantly intense reflections | 0.0547 |
| Weighted residual factors for all reflections included in the refinement | 0.0576 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.292 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180856 (current) | 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 2/01/87. |
2018787.cif 2018787.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018787.cif 2018787.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2018787.cif 2018787.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2018787.cif 2018787.hkl |
| 75363 | 2013-03-09 | cif/ Adding structures of 2018785, 2018786, 2018787 via cif-deposit CGI script. |
2018787.cif |
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Users of the data should acknowledge the original authors of the
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