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Information card for entry 4320312
Preview
| Coordinates | 4320312.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Lithium nitridomanganate(I) |
|---|---|
| Formula | Li2.33 Mn0.67 N |
| Calculated formula | Li2.33 Mn0.671 N |
| Title of publication | Li~24~[MnN~3~]~3~N~2~ and Li~5~[(Li~1-x~Mn~x~)N]~3~, Two Intermediates in the Decomposition Path of Li~7~[MnN~4~] to Li~2~[(Li~1-x~Mn~x~)N]: An Experimental and Theoretical Study |
| Authors of publication | Niewa, R.; Hochrein, O.; Schnelle, W.; Wagner, F.R.; Kniep, R. |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Journal issue | 20 |
| Pages of publication | 5215 - 5222 |
| a | 3.7125 ± 0.0004 Å |
| b | 3.7125 ± 0.0004 Å |
| c | 3.8212 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 45.61 ± 0.01 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 191 |
| Hermann-Mauguin space group symbol | P 6/m m m |
| Hall space group symbol | -P 6 2 |
| Residual factor for all reflections | 0.0206 |
| Residual factor for significantly intense reflections | 0.0206 |
| Weighted residual factors for significantly intense reflections | 0.0566 |
| Weighted residual factors for all reflections included in the refinement | 0.0566 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.406 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210305 (current) | 2018-09-01 | cif/4/ Updating bibliography in entries 4320309-4320312, 4344529. Marking entry 4344529 as a duplicate of entry 4320310. |
4320312.cif |
| 179306 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/03. |
4320312.cif |
| 171491 | 2015-12-13 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4. |
4320312.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4320312.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4320312.cif |
| 17216 | 2011-04-05 | ../uploads/cif-deposit/cod/cif Adding structures of 4320312 via cif-deposit CGI script. |
4320312.cif |
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