Information card for entry 1007193

Structure parameters

• Chemical name: Disodium tetraammonium cyclo-hexaphosphate dihydrate
• Formula: H20 N4 Na2 O20 P6
• Calculated formula: H20 N4 Na2 O20 P6
• SMILES: O.[Na+].P1(=O)([O-])OP(=O)([O-])OP([O-])(=O)OP(=O)([O-])OP(=O)([O-])OP(=O)(O1)[O-].[Na+].[NH4+].[NH4+].O.[NH4+].[NH4+]
• Title of publication: Crystal chemistry of cyclo-hexaphosphates. XV.Structures of sodium ammonium cyclo-hexaphosphate dihydrate and sodium rubidium cyclo- hexaphosphate hexahydrate
• Authors of publication: Averbuch-Pouchot, M T; Durif, A
• Journal of publication: Acta Crystallographica C (39,1983-)
• Year of publication: 1991
• Journal volume: 47
• Pages of publication: 932 - 936
• a: 13.363 ± 0.007 Å
• b: 11.58 ± 0.012 Å
• c: 6.809 ± 0.005 Å
• α: 90°
• β: 101.87 ± 0.05°
• γ: 90°
• Cell volume: 1031.1 ų
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.023
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No