Information card for entry 4517559

Structure parameters

• Formula: H5 Na3 Ni
• Calculated formula: H5 Na3 Ni
• Title of publication: Na-Ni-H Phase Formation at High Pressures and High Temperatures: Hydrido Complexes [NiH₅]^3-<i>Versus</i> the Perovskite NaNiH₃.
• Authors of publication: Spektor, Kristina; Crichton, Wilson A.; Filippov, Stanislav; Klarbring, Johan; Simak, Sergei I.; Fischer, Andreas; Häussermann, Ulrich
• Journal of publication: ACS omega
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 15
• Pages of publication: 8730 - 8743
• a: 7.3575 ± 0.0013 Å
• b: 6.7932 ± 0.0015 Å
• c: 7.2231 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 361.02 ± 0.12 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 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 for all reflections: 0.111
• Residual factor for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections: 0.1015
• Weighted residual factors for significantly intense reflections: 0.1013
• Goodness-of-fit parameter for all reflections: 4.7
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.22542 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No