Crystallography Open Database

Information card for entry 4337744

Preview

Coordinates	4337744.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B3 Cs O7 Zn2
Calculated formula	B3 Cs O7 Zn2
Title of publication	A New UV Nonlinear Optical Material CsZn2B3O7: ZnO4 Tetrahedra Double the Efficiency of Second-Harmonic Generation.
Authors of publication	Zhao, Sangen; Zhang, Jia; Zhang, Shu-Quan; Sun, Zhihua; Lin, Zheshuai; Wu, Yicheng; Hong, Maochun; Luo, Junhua
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	5
Pages of publication	2521 - 2527
a	8.4293 ± 0.0002 Å
b	19.255 ± 0.0006 Å
c	14.5767 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2365.89 ± 0.11 Å³
Cell temperature	230.01 ± 0.1 K
Ambient diffraction temperature	230.01 ± 0.1 K
Number of distinct elements	4
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.0362
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0581
Weighted residual factors for all reflections included in the refinement	0.0615
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
179480 (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 4/33/77.	4337744.cif
107714	2014-03-22	cif/ Adding structures of 4337744 via cif-deposit CGI script.	4337744.cif