Information card for entry 2101162

Structure parameters

• Formula: C4 H16 N Na O10
• Calculated formula: C4 H16 N Na O10
• SMILES: [NH4+].O.C(=O)([C@@H]([C@H](C(=O)[O-])O)O)[O-].[Na+].O.O.O
• Title of publication: X-ray Rietveld structure determination of ammonium Rochelle salt at 120 (paraelectric phase) and 100 K (ferroelectric phase)
• Authors of publication: Brożek, Z.; Mucha, D.; Stadnicka, K.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 4
• Pages of publication: 465 - 472
• a: 12.1252 ± 0.0002 Å
• b: 14.4144 ± 0.0002 Å
• c: 6.1989 ± 0.0001 Å
• α: 90°
• β: 91.0392 ± 0.0001°
• γ: 90°
• Cell volume: 1083.25 ± 0.03 ų
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1 (a-1/4,b,c)
• Hall space group symbol: P 2yb (x+1/4,y,z)
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No