Crystallography Open Database

Information card for entry 4123874

Preview

Coordinates	4123874.cif
Original paper (by DOI)	HTML

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 Å³
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 F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4123874.cif
152838	2015-08-05	cif/ Updating files of 4123874 Original log message: Adding full bibliography for 4123874.cif.	4123874.cif
139774	2015-06-30	cif/ Adding structures of 4123874 via cif-deposit CGI script.	4123874.cif