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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 |
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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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Users of the data should acknowledge the original authors of the
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