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Information card for entry 2018707
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| Coordinates | 2018707.cif |
|---|---|
| Structure factors | 2018707.hkl |
| Original IUCr paper | HTML |
| Common name | Iron Phosphate |
|---|---|
| Chemical name | Heptairon pentaphosphate hydrogen phosphate |
| Formula | Fe6.67 H0.65 O24 P6 |
| Calculated formula | Fe6.6738 O24 P6 |
| Title of publication | Fe~6.67~(PO~4~)~5.35~(HPO~4~)~0.65~ and Fe~6.23~(PO~4~)~4.45~(HPO~4~)~1.55~: two new mixed-valence iron phosphates |
| Authors of publication | Dal Bo, Fabrice; Hatert, Frédéric |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 12 |
| Pages of publication | i83 - i85 |
| a | 6.3609 ± 0.001 Å |
| b | 7.975 ± 0.0013 Å |
| c | 9.322 ± 0.0015 Å |
| α | 105.278 ± 0.014° |
| β | 108.055 ± 0.014° |
| γ | 101.993 ± 0.014° |
| Cell volume | 411.55 ± 0.14 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0306 |
| Residual factor for significantly intense reflections | 0.0239 |
| Weighted residual factors for significantly intense reflections | 0.055 |
| Weighted residual factors for all reflections included in the refinement | 0.0571 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
| Diffraction radiation wavelength | 0.7107 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. |
2018707.cif 2018707.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. |
2018707.cif 2018707.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018707.cif 2018707.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. | 2018707.cif 2018707.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2018707.cif 2018707.hkl |
| 71125 | 2013-01-18 | cif/ Adding structures of 2018707, 2018708 via cif-deposit CGI script. |
2018707.cif |
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Users of the data should acknowledge the original authors of the
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