Information card for entry 1000140

Structure parameters

• Chemical name: Disodium calcium bis(hydrogenphosphate(V))
• Formula: Ca H2 Na2 O8 P2
• Calculated formula: Ca H2 Na2 O8 P2
• SMILES: [O-]P(=O)([O-])O.[Na+].[O-]P(=O)([O-])O.[Ca+2].[Na+]
• Title of publication: Structure of Na2 Ca (H P O4)2 determined ab initio from conventional powder diffraction data
• Authors of publication: Ben Chaabane, T; Smiri-Dogguy, L; Laligant, Y; Le Bail, A
• Journal of publication: European Journal of Solid State Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 34
• Pages of publication: 937 - 946
• a: 9.0652 ± 0.0003 Å
• b: 7.1468 ± 0.0002 Å
• c: 5.47 ± 0.0002 Å
• α: 90°
• β: 98.782 ± 0.001°
• γ: 90°
• Cell volume: 350.2 ų
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.041
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No