Information card for entry 2021117

Structure parameters

• Common name: thallium iron bis(hydrogen arsenate)
• Chemical name: Thallium iron bis[hydrogen arsenate(V)]
• Formula: As2 Fe H2 O8 Tl
• Calculated formula: As2 Fe H2 O8 Tl0.999867
• Title of publication: RbFe(HAsO4)2 and TlFe(HAsO4)2, two new hydrogenarsenates adopting two closely related structure types
• Authors of publication: Schwendtner, Karolina; Kolitsch, Uwe
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 6
• Pages of publication: 766
• a: 7.346 ± 0.002 Å
• b: 9.148 ± 0.002 Å
• c: 9.662 ± 0.002 Å
• α: 64.89 ± 0.03°
• β: 70.51 ± 0.03°
• γ: 69.94 ± 0.03°
• Cell volume: 538.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections included in the refinement: 0.0508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes