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Information card for entry 4001093
Preview
Coordinates | 4001093.cif |
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Original paper (by DOI) | HTML |
Common name | Barium strontium manganese copper oxide sulfide |
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Chemical name | Barium strontium manganese copper oxide sulfide |
Formula | Ba2.64 Cu1.96 Mn4 O8 S2 Sr1.36 |
Calculated formula | Ba2.64 Cu1.956 Mn4 O8 S2 Sr1.36 |
Title of publication | Ba2Mn2O4Cu0.9S: A layered Oxysulfide with a New Perovskite-Related Manganese Oxide Fragment |
Authors of publication | Hyett, Geoffrey; Gál, Zoltán A.; Smura, Catherine F.; Clarke, Simon J. |
Journal of publication | Chemistry of Materials |
Year of publication | 2008 |
Journal volume | 20 |
Journal issue | 2 |
Pages of publication | 559 |
a | 3.9595 ± 0.0001 Å |
b | 3.9595 ± 0.0001 Å |
c | 19.2227 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 301.367 ± 0.012 Å3 |
Cell temperature | 240 ± 2 K |
Ambient diffraction temperature | 240 ± 2 K |
Number of distinct elements | 6 |
Space group number | 129 |
Hermann-Mauguin space group symbol | P 4/n m m :2 |
Hall space group symbol | -P 4a 2a |
Residual factor for all reflections | 0.0214 |
Residual factor for significantly intense reflections | 0.0207 |
Weighted residual factors for significantly intense reflections | 0.0517 |
Weighted residual factors for all reflections included in the refinement | 0.052 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.26 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178377 (current) | 2016-03-21 | cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00. |
4001093.cif |
120073 | 2014-07-11 | Adding DOIs to range 4/00 structures. | 4001093.cif |
41843 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4001093 via cif-deposit CGI script. |
4001093.cif |
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