Information card for entry 2101141

Structure parameters

• Formula: H3 Li O2
• Calculated formula: H3 Li O2
• Title of publication: Structural, vibrational and electronic properties of a crystalline hydrate from <i>ab initio</i> periodic Hartree‒Fock calculations
• Authors of publication: Ojamäe, L.; Hermansson, K.; Pisani, C.; Causà, M.; Roetti, C.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 3
• Pages of publication: 268 - 279
• a: 7.4153 ± 0.0002 Å
• b: 8.3054 ± 0.0002 Å
• c: 3.195 ± 0.0001 Å
• α: 90°
• β: 110.107 ± 0.004°
• γ: 90°
• Cell volume: 184.778 ± 0.01 ų
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 1.21 Å
• Diffraction radiation type: Neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No