Information card for entry 7231415

Structure parameters

• Formula: C3 H7 N Ni O6
• Calculated formula: C3 H7.0002 N Ni O6
• Title of publication: Pressure dependence of spin canting in ammonium metal formate antiferromagnets.
• Authors of publication: Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 37
• Pages of publication: 24465 - 24476
• a: 7.1831 ± 0.0002 Å
• b: 7.1831 ± 0.0002 Å
• c: 8.0511 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 359.757 ± 0.017 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 182
• Hermann-Mauguin space group symbol: P 63 2 2
• Hall space group symbol: P 6c 2c
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.253
• Diffraction radiation wavelength: 0.41128 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No