Information card for entry 2003007

Structure parameters

• Chemical name: thallium dideuterium phosphate
• Formula: D2 O4 P Tl
• Calculated formula: D2 O4 P Tl
• Title of publication: Isotope Effect in TlH~2~PO~4~ and TlD~2~PO~4~
• Authors of publication: Ríos, Susana; Paulus, Werner; Cousson, Alain; Quilichini, Marguerite; Heger, Gernot
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 790 - 797
• a: 9.07 ± 0.006 Å
• b: 15 ± 0.01 Å
• c: 6.575 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 106.92 ± 0.05°
• Cell volume: 855.8 ± 1.1 ų
• Cell temperature: 300 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 1 21/b
• Hall space group symbol: -P 2bc
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.038
• Goodness-of-fit parameter for significantly intense reflections: 1.2
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 0.8308 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No