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Information card for entry 2230110
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| Coordinates | 2230110.cif |
|---|---|
| Structure factors | 2230110.hkl |
| Original IUCr paper | HTML |
| Common name | Lithium Copper Iron Phosphate |
|---|---|
| Chemical name | Pentalithium dicopper iron tetraphosphate |
| Formula | Cu2.1 Fe1.15 Li4.59 O16 P4 |
| Calculated formula | Cu2.102 Fe1.152 Li4.586 O16 P4 |
| Title of publication | A novel lithium copper iron phosphate with idealized formula Li~5~Cu~2~^2+^Fe^3+^(PO~4~)~4~: crystal structure and distribution of defects |
| Authors of publication | Upreti, Shailesh; Yakubovich, Olga V.; Chernova, Natasha A.; Whittingham, M. Stanley |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 5 |
| Pages of publication | i29 |
| a | 4.895 ± 0.0014 Å |
| b | 7.847 ± 0.002 Å |
| c | 8.388 ± 0.002 Å |
| α | 69.472 ± 0.005° |
| β | 89.764 ± 0.006° |
| γ | 75.501 ± 0.005° |
| Cell volume | 290.88 ± 0.13 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0324 |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for significantly intense reflections | 0.0852 |
| Weighted residual factors for all reflections included in the refinement | 0.0862 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.198 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181223 (current) | 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 2/23/01. |
2230110.cif 2230110.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2230110.cif 2230110.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230110.cif 2230110.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. | 2230110.cif 2230110.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230110.cif 2230110.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230110.cif 2230110.hkl |
| 20180 | 2011-06-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2230110 via cif-deposit CGI script. |
2230110.cif |
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Users of the data should acknowledge the original authors of the
structural data.