Information card for entry 7130953

Structure parameters

• Formula: H3.13 La4 Li2 N1.68 O2.32
• Calculated formula: H3.128 La4 Li2 N1.68 O2.32
• Title of publication: Aliovalent anion substitution as a design concept for heteroanionic Ruddlesden–Popper hydrides
• Authors of publication: Zapp, Nicolas; Oehler, Florian; Bertmer, Marko; Auer, Henry; Sheptyakov, Denis; Ritter, Clemens; Kohlmann, Holger
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 3.6574 ± 0.00006 Å
• b: 3.6574 ± 0.00006 Å
• c: 13.3679 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 178.817 ± 0.007 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 139
• Hermann-Mauguin space group symbol: I 4/m m m
• Hall space group symbol: -I 4 2
• Residual factor R(I) for significantly intense reflections: 0.1052
• Goodness-of-fit parameter for all reflections: 2.08
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.494 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No