Information card for entry 4002670

Structure parameters

• Formula: Cl La3 P6 Zn4
• Calculated formula: Cl La3 P6 Zn4
• Title of publication: Enclathration of X@La4Tetrahedra in Channels of Zn‒P Frameworks in La3Zn4P6X (X = Cl, Br)
• Authors of publication: Wang, Jian; Kaseman, Derrick; Lee, Kathleen; Sen, Sabyasachi; Kovnir, Kirill
• Journal of publication: Chemistry of Materials
• Year of publication: 2016
• Journal volume: 28
• Journal issue: 13
• Pages of publication: 4741
• a: 4.0576 ± 0.0005 Å
• b: 13.6319 ± 0.0016 Å
• c: 21.547 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1191.8 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections included in the refinement: 0.0644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No