Information card for entry 4134711

Structure parameters

• Formula: Li0.687 Nb5 O15 Pb2.157
• Calculated formula: Li0.685 Nb5 O15 Pb2.1565
• Title of publication: Strong Second Harmonic Generation in a Tungsten Bronze Oxide by Enhancing Local Structural Distortion.
• Authors of publication: Lin, Kun; Gong, Pifu; Chu, Shihang; Li, Qiang; Lin, Zheshuai; Wu, Hui; Wang, Qingxiao; Wang, Jinguo; Kim, Moon J.; Kato, Kenichi; Wang, Chin-Wei; Liu, Xinzhi; Huang, Qingzhen; Chen, Jun; Zhu, He; Deng, Jinxia; Xing, Xianran
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 16
• Pages of publication: 7480 - 7486
• a: 12.38233 ± 0.00011 Å
• b: 12.66874 ± 0.00012 Å
• c: 7.66215 ± 0.00006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1201.95 ± 0.018 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 4
• Space group number: 31
• Hermann-Mauguin space group symbol: P n 21 m
• Hall space group symbol: P -2 -2bc
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.0629
• Goodness-of-fit parameter for all reflections: 2.13
• Method of determination: powder diffraction
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 2.0775 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No