Information card for entry 4103943

Structure parameters

• Formula: Bi Cs5 P4 Se12
• Calculated formula: Bi Cs5 P4 Se12
• Title of publication: Flexible Polar Nanowires of Cs5BiP4Se12 from Weak Interactions between Coordination Complexes: Strong Nonlinear Optical Second Harmonic Generation
• Authors of publication: In Chung; Jung-Hwan Song; Joon I. Jang; Arthur J. Freeman; John B. Ketterson; Mercouri G. Kanatzidis
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 2647 - 2656
• a: 7.5357 ± 0.0002 Å
• b: 13.7783 ± 0.0006 Å
• c: 28.0807 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2915.59 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 26
• Hermann-Mauguin space group symbol: P m c 21
• Hall space group symbol: P 2c -2
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No