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Information card for entry 2233314
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| Coordinates | 2233314.cif |
|---|---|
| Structure factors | 2233314.hkl |
| Original IUCr paper | HTML |
| External links | AMCSD |
| Common name | Pyrosmalite-(Fe) |
|---|---|
| Chemical name | octairon(II) hexasilicate deca(chloride/hydroxide) 0.45-hydrate |
| Mineral name | Pyrosmalite-(Fe) |
| Formula | Cl1.855 Fe8 H8.48 O23.585 Si6 |
| Calculated formula | Cl1.857 Fe8 H9.025 O23.584 Si6 |
| Title of publication | Pyrosmalite-(Fe), Fe~8~Si~6~O~15~(OH,Cl)~10~ |
| Authors of publication | Yang, Hexiong; Downs, Robert T.; Yang, Yongbo W.; Allen, Warren H. |
| Journal of publication | Acta Crystallographica, Section E: Structure Reports Online |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | i7 - i8 |
| a | 13.3165 ± 0.0002 Å |
| b | 13.3165 ± 0.0002 Å |
| c | 7.0845 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1087.98 ± 0.04 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 164 |
| Hermann-Mauguin space group symbol | P -3 m 1 |
| Hall space group symbol | -P 3 2" |
| Residual factor for all reflections | 0.0379 |
| Residual factor for significantly intense reflections | 0.0232 |
| Weighted residual factors for significantly intense reflections | 0.0614 |
| Weighted residual factors for all reflections included in the refinement | 0.0678 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205491 (current) | 2018-01-23 | cif/ Marking entry 9014490 as a duplicate of entry 2233314. |
2233314.cif 2233314.hkl |
| 205490 | 2018-01-23 | cif/2/23/33/ Marking attached hydrogen atoms in entry 2233314. |
2233314.cif 2233314.hkl |
| 205488 | 2018-01-23 | cif/2/23/33/ Adding the _chemical_name_mineral data item in entry 2233314. |
2233314.cif 2233314.hkl |
| 181255 | 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 2/23/33. |
2233314.cif 2233314.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. |
2233314.cif 2233314.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233314.cif 2233314.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. | 2233314.cif 2233314.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2233314.cif 2233314.hkl |
| 32380 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2233314 via cif-deposit CGI script. |
2233314.cif |
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Users of the data should acknowledge the original authors of the
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