Crystallography Open Database

Information card for entry 4334827

Preview

Coordinates	4334827.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B4 Cs2 Ge O9
Calculated formula	B4 Cs2 Ge O9
Title of publication	Cs2GeB4O9: a New Second-Order Nonlinear-Optical Crystal
Authors of publication	Xiang Xu; Chun-Li Hu; Fang Kong; Jian-Han Zhang; Jiang-Gao Mao; Junliang Sun
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	5831 - 5837
a	6.8063 ± 0.0002 Å
b	6.8063 ± 0.0002 Å
c	9.9523 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	461.05 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for all reflections	0.0223
Residual factor for significantly intense reflections	0.0223
Weighted residual factors for significantly intense reflections	0.044
Weighted residual factors for all reflections included in the refinement	0.044
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
179451 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/48.	4334827.cif
100711	2014-02-07	cif/ Adding structures of 4334827 via cif-deposit CGI script.	4334827.cif