Information card for entry 7124078

Structure parameters

• Chemical name: claringbullite
• Formula: Cl Cu4 F O6
• Calculated formula: Cl Cu4 F O6
• Title of publication: Order-Disorder Transition in the S = ½ Kagome Antiferromagnets Claringbullite and Barlowite
• Authors of publication: Henderson, Alyssa May; Dong, Lianyang; Biswas, Sananda; Revell, Hannah; Xin, Yan; Valenti, Roser; Schlueter, John A.; Siegrist, Theo
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 11.5133 ± 0.0001 Å
• b: 9.1527 ± 0.0001 Å
• c: 6.6726 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 703.144 ± 0.014 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0943
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0597
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No