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Information card for entry 4000954
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Coordinates | 4000954.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | calcium-magnesium silicide |
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Chemical name | calcium-magnesium silicide |
Formula | Ca Mg Si |
Calculated formula | Ca Mg Si |
SMILES | [Ca+2].[Si-4].[Mg+2] |
Title of publication | Metal to Semimetal Transition in CaMgSi Crystals Grown from Mg−Al Flux |
Authors of publication | Whalen, Jeffrey B.; Zaikina, Julia V.; Achey, Randall; Stillwell, Ryan; Zhou, Haidong; Wiebe, Christopher R.; Latturner, Susan E. |
Journal of publication | Chemistry of Materials |
Year of publication | 2010 |
Journal volume | 22 |
Journal issue | 5 |
Pages of publication | 1846 |
a | 7.4752 ± 0.0002 Å |
b | 4.4272 ± 0.0001 Å |
c | 8.3149 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 275.175 ± 0.012 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 3 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.0272 |
Residual factor for significantly intense reflections | 0.021 |
Weighted residual factors for significantly intense reflections | 0.046 |
Weighted residual factors for all reflections included in the refinement | 0.048 |
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 | 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. |
4000954.cif |
91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4000954.cif |
36599 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 4000954 via cif-deposit CGI script. |
4000954.cif |
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Users of the data should acknowledge the original authors of the
structural data.