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Information card for entry 3000253
Preview
Coordinates | 3000253.cif |
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Original paper (by DOI) | HTML |
Formula | Ca3 D3.23 Si3 |
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Calculated formula | Ca3 D3.228 Si3 |
Title of publication | Covalent Si‒H Bonds in the Zintl Phase Hydride CaSiH1+x (x ≤ 1/3) |
Authors of publication | Auer, Henry; Yang, Fangshun; Playford, Helen Y.; Hansen, Thomas C.; Franz, Alexandra; Kohlmann, Holger |
Journal of publication | Inorganics |
Year of publication | 2019 |
Journal volume | 7 |
Journal issue | 9 |
Pages of publication | 106 |
a | 14.579 ± 0.004 Å |
b | 3.8119 ± 0.0004 Å |
c | 11.209 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 622.9 ± 0.2 Å3 |
Cell temperature | 294 K |
Ambient diffraction temperature | 294 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 R(I) for significantly intense reflections | 1.48 |
Goodness-of-fit parameter for all reflections | 1.33 |
Method of determination | powder diffraction |
Diffraction radiation wavelength | 1.7982 Å |
Diffraction radiation type | neutron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
219323 (current) | 2019-10-13 | cif/ Updating files of 3000253 Original log message: Releasing structure 3000253 into public domain as published material. |
3000253.cif |
215547 | 2019-05-26 | cif/ Adding structures of 3000253 via cif-deposit CGI script. |
3000253.cif |
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Users of the data should acknowledge the original authors of the
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