Information card for entry 2100625

Structure parameters

• Formula: H2 O4 P Tl
• Calculated formula: H2 O4 P Tl
• Title of publication: Structural phase transition and hydrogen ordering of TlH~2~PO~4~ at low temperature
• Authors of publication: Oh, I.H.; Merz, M.; Mattauch, S.; Heger, G.
• Journal of publication: Acta Crystallographica, Section B
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: 719 - 728
• a: 14.331 ± 0.007 Å
• b: 4.535 ± 0.002 Å
• c: 6.514 ± 0.003 Å
• α: 90°
• β: 91.67 ± 0.02°
• γ: 90°
• Cell volume: 423.2 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 3.9
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 1.2413 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No