Information card for entry 3000251

Structure parameters

• Formula: Ca D0.14 Si
• Calculated formula: Ca D0.137 Si
• 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: 4.5227 ± 0.0005 Å
• b: 11.0069 ± 0.001 Å
• c: 3.9015 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 194.22 ± 0.03 ų
• Cell temperature: 535 K
• Ambient diffraction temperature: 535 K
• Number of distinct elements: 3
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor R(I) for significantly intense reflections: 5.67
• Goodness-of-fit parameter for all reflections: 2.18
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.86829 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No