Information card for entry 1563200

Structure parameters

• Common name: Calcium nitride deuteride
• Formula: Ca2 D0.9 H0.1 N
• Calculated formula: Ca2 D0.991 N
• Title of publication: Order and disorder in Ca2ND0.90H0.10‒A structural and thermal study
• Authors of publication: Verbraeken, Maarten C.; Suard, Emmanuelle; Irvine, John T.S.
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2011
• Journal volume: 184
• Journal issue: 8
• Pages of publication: 2088 - 2096
• a: 3.6044 ± 0.00001 Å
• b: 3.6044 ± 0.00001 Å
• c: 17.65817 ± 0.00088 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 198.675 ± 0.01 ų
• Cell temperature: 523 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor R(I) for significantly intense reflections: 7.5337
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.91137 Å
• Diffraction radiation type: ConstantWavelengthNeutronDiffraction
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No