Information card for entry 1529244

Structure parameters

• Formula: F4 H12 N3 Nb O4
• Calculated formula: F4 H12 N3 Nb O4
• Title of publication: Structural changes during phase transitions and the critical and noncritical order parameters in the (NH4)3Nb(O2)2F4 crystal
• Authors of publication: M.S. Molokeev; S.V. Misyul
• Journal of publication: Physics of the Solid State
• Year of publication: 2012
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 143
• a: 6.6681 ± 0.0003 Å
• b: 13.274 ± 0.0005 Å
• c: 9.4797 ± 0.0003 Å
• α: 90°
• β: 89.146 ± 0.003°
• γ: 90°
• Cell volume: 838.98 ± 0.06 ų
• Cell temperature: 133 K
• 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 R(I) for significantly intense reflections: 3.45
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5406 Å
• Diffraction radiation type: CuKα~1~~2~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes