Crystallography Open Database

Information card for entry 7225576

Preview

Coordinates	7225576.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Li O4 P Pb
Calculated formula	Li O4 P Pb
Title of publication	Experimental and theoretical studies on the linear and nonlinear optical properties of lead phosphate crystals LiPbPO4.
Authors of publication	Han, Guopeng; Liu, Qiong; Wang, Ying; Su, Xin; Yang, Zhihua; Pan, Shilie
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2016
Journal volume	18
Journal issue	28
Pages of publication	19123 - 19129
a	8.027 ± 0.008 Å
b	18.689 ± 0.018 Å
c	4.965 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	744.8 ± 1.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0412
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0811
Weighted residual factors for all reflections included in the refinement	0.0853
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
185674 (current)	2016-08-07	cif/ Updating files of 7225576 Original log message: Adding full bibliography for 7225576.cif.	7225576.cif
183666	2016-06-17	cif/ Adding structures of 7225576 via cif-deposit CGI script.	7225576.cif