Information card for entry 4517561

Structure parameters

• Formula: H3 Na Ni
• Calculated formula: H3 Na 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: 3.43235 ± 0.00003 Å
• b: 3.43235 ± 0.00003 Å
• c: 3.43235 ± 0.00003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 40.4366 ± 0.0006 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 221
• Hermann-Mauguin space group symbol: P m -3 m
• Hall space group symbol: -P 4 2 3
• Residual factor for all reflections: 0.0239
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for all reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0351
• Goodness-of-fit parameter for all reflections: 1.28
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.3544 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No