Information card for entry 1520541

Structure parameters

• Formula: Cu4 O21 P6 Tl4
• Calculated formula: Cu4 O21 P6 Tl4
• Title of publication: The compound Tl4Cu4(P2O7)3, a new three-dimensional structure with interconnected tunnels
• Authors of publication: M Fakhfakh; S Ammar-Merah; N Jouini
• Journal of publication: Solid State Sciences
• Year of publication: 2000
• Journal volume: 2
• Pages of publication: 587 - 594
• a: 20.171 ± 0.002 Å
• b: 10.558 ± 0.001 Å
• c: 9.676 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2060.7 ± 0.4 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No