Information card for entry 4123874

Structure parameters

• Formula: Cl18 O8 Pb17
• Calculated formula: Cl18 O8 Pb17
• Title of publication: Pb17O8Cl18: A Promising IR Nonlinear Optical Material with Large Laser Damage Threshold Synthesized in an Open System.
• Authors of publication: Zhang, Hui; Zhang, Min; Pan, Shilie; Dong, Xiaoyu; Yang, Zhihua; Hou, Xueling; Wang, Zheng; Chang, Kelvin B.; Poeppelmeier, Kenneth R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 26
• Pages of publication: 8360 - 8363
• a: 35.4963 ± 0.0014 Å
• b: 5.832 ± 0.0002 Å
• c: 16.0912 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3331.1 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 42
• Hermann-Mauguin space group symbol: F m m 2
• Hall space group symbol: F 2 -2
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No