Information card for entry 4339591

Structure parameters

• Common name: libethenite (mineralogical)
• Chemical name: copper(II) hydroxyphosphate
• Formula: Cu2 H O5 P
• Calculated formula: Cu2 H O5 P
• Title of publication: Magnetic properties of synthetic libethenite Cu2PO4OH: a new spin-gap system.
• Authors of publication: Belik, Alexei A.; Koo, Hyun-Joo; Whangbo, Myung-Hwan; Tsujii, Naohito; Naumov, Pance; Takayama-Muromachi, Eiji
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 21
• Pages of publication: 8684 - 8689
• a: 8.0513 ± 0.0009 Å
• b: 8.3775 ± 0.001 Å
• c: 5.8799 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 396.6 ± 0.08 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.364
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No