Crystallography Open Database

Information card for entry 4120491

4120490 << 4120491 >> 4120492

Preview

Coordinates	4120491.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B9 Cs3 O21 Zn6
Calculated formula	B9 Cs3 O21 Zn6
Title of publication	Cs3Zn6B9O21: A Chemically Benign Member of the KBBF Family Exhibiting the Largest Second Harmonic Generation Response.
Authors of publication	Yu, Hongwei; Wu, Hongping; Pan, Shilie; Yang, Zhihua; Hou, Xueling; Su, Xin; Jing, Qun; Poeppelmeier, Kenneth R.; Rondinelli, James M.
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	4
Pages of publication	1264 - 1267
a	8.4268 ± 0.0008 Å
b	19.2101 ± 0.0019 Å
c	14.5611 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	2357.1 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0245
Residual factor for significantly intense reflections	0.0214
Weighted residual factors for significantly intense reflections	0.0445
Weighted residual factors for all reflections included in the refinement	0.0457
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
178981 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/04.	4120491.cif
106523	2014-03-15	cif/ Adding structures of 4120491 via cif-deposit CGI script.	4120491.cif