Information card for entry 4517560

Structure parameters

• Formula: H5 Na3 Ni
• Calculated formula: H5.0004 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: 7.16905 ± 0.00016 Å
• b: 7.16905 ± 0.00016 Å
• c: 7.16905 ± 0.00016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 368.455 ± 0.014 ų
• Cell temperature: 638 K
• Ambient diffraction temperature: 638 K
• Number of distinct elements: 3
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections: 0.0836
• Weighted residual factors for significantly intense reflections: 0.0836
• Goodness-of-fit parameter for all reflections: 4.26
• 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