Information card for entry 2100627

Structure parameters

• Formula: H8 O16 P4 Tl4
• 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: 28.483 ± 0.012 Å
• b: 9.016 ± 0.005 Å
• c: 6.502 ± 0.003 Å
• α: 90.09 ± 0.05°
• β: 92.21 ± 0.03°
• γ: 90.49 ± 0.03°
• Cell volume: 1668.4 ± 1.4 ų
• Cell temperature: 210 K
• Ambient diffraction temperature: 210 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: C -1
• Hall space group symbol: -P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for all reflections included in the refinement: 0.0544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.933
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 0.8724 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No