Information card for entry 2104981

Structure parameters

• Common name: lithium hydrogen methylphosphonate
• Formula: C H4 Li O3 P
• Calculated formula: C H4 Li O3 P
• SMILES: CP(=O)(O)[O-].[Li+]
• Title of publication: Charge-density distribution in hydrogen methylphosphonates of calcium and lithium
• Authors of publication: Mermer, Adrian; Starynowicz, Przemysław
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: 399 - 408
• a: 9.267 ± 0.005 Å
• b: 4.604 ± 0.002 Å
• c: 9.384 ± 0.003 Å
• α: 90°
• β: 96.12 ± 0.04°
• γ: 90°
• Cell volume: 398.1 ± 0.3 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.015
• Weighted residual factors for all reflections included in the refinement: 0.015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.47
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes