Information card for entry 1561470

Structure parameters

• Formula: Cu H2 I3 O2 Pb2
• Calculated formula: Cu I3 O2 Pb2
• Title of publication: A naturally-occurring new lead-based halocuprate(I)
• Authors of publication: Welch, Mark D.; Rumsey, Michael S.; Kleppe, Annette K.
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2016
• Journal volume: 238
• Pages of publication: 9 - 14
• a: 16.7082 ± 0.0009 Å
• b: 20.8465 ± 0.0015 Å
• c: 21.0159 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7320 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0518
• Weighted residual factors for all reflections included in the refinement: 0.0572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No