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Information card for entry 2239374
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| Coordinates | 2239374.cif |
|---|---|
| Structure factors | 2239374.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetracalcium magnesium tetrairon(III) hexakis-phosphate tetrahydroxide dodecahydrate |
|---|---|
| Formula | Al1.07 Ca3.94 Fe2.93 H28 Mg1.01 O40 P6 Sr0.06 |
| Calculated formula | Al1.07 Ca3.94 Fe2.93 H20 Mg1.01 O40 P6 Sr0.06 |
| Title of publication | Calcioferrite with composition (Ca~3.94~Sr~0.06~)Mg~1.01~(Fe~2.93~Al~1.07~)(PO~4~)~6~(OH)~4~·12H~2~O |
| Authors of publication | Lafuente, Barbara; Downs, Robert T.; Yang, Hexiong; Jenkins, Robert A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 3 |
| Pages of publication | i16 - i17 |
| a | 10.1936 ± 0.0008 Å |
| b | 24.1959 ± 0.0018 Å |
| c | 6.3218 ± 0.0004 Å |
| α | 90° |
| β | 91.161 ± 0.004° |
| γ | 90° |
| Cell volume | 1558.9 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0646 |
| Residual factor for significantly intense reflections | 0.0385 |
| Weighted residual factors for significantly intense reflections | 0.0853 |
| Weighted residual factors for all reflections included in the refinement | 0.094 |
| 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 | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181893 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/93. |
2239374.cif 2239374.hkl |
| 181312 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/93. |
2239374.cif 2239374.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239374.cif 2239374.hkl |
| 110657 | 2014-04-19 | cif/ hkl/ Adding structures of 2239374 via cif-deposit CGI script. |
2239374.cif 2239374.hkl |
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