Information card for entry 7248379

Structure parameters

• Formula: Br7 Cs Nb3 S
• Calculated formula: Br7 Cs Nb3 S
• Title of publication: Electronic structure and transport in the potential Luttinger liquids CsNb₃Br₇S and RbNb₃Br₇S.
• Authors of publication: Grahlow, Fabian; Strauß, Fabian; Scheele, Marcus; Ströbele, Markus; Carta, Alberto; Weber, Sophie F.; Kroeker, Scott; Romao, Carl P.; Meyer, H-Jürgen
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 15
• Pages of publication: 11789 - 11797
• a: 9.8515 ± 0.0002 Å
• b: 18.7974 ± 0.0004 Å
• c: 7.0544 ± 0.0001 Å
• α: 90°
• β: 98.203 ± 0.002°
• γ: 90°
• Cell volume: 1292.99 ± 0.04 ų
• Cell temperature: 100 ± 0.11 K
• Ambient diffraction temperature: 100 ± 0.11 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No