Crystallography Open Database

Information card for entry 7215114

Preview

Coordinates	7215114.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba2 Bi In Se5
Calculated formula	Ba2 Bi In Se5
Title of publication	Design of SHG materials with mid-infrared transparency based on genetic engineering for Ba2BiInA5 (A = Se, Te)
Authors of publication	Lin, Chen-Sheng; Luo, Zhong-Zhen; Cheng, Wen-Dan; Zhang, Hao; Zhang, Wei-Long
Journal of publication	Journal of Materials Chemistry
Year of publication	2012
Journal volume	22
Journal issue	40
Pages of publication	21713
a	4.328 ± 0.004 Å
b	19.117 ± 0.016 Å
c	13.181 ± 0.01 Å
α	90°
β	90°
γ	90°
Cell volume	1090.6 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0411
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0506
Weighted residual factors for all reflections included in the refinement	0.0547
Goodness-of-fit parameter for all reflections included in the refinement	0.648
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
180482 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/51.	7215114.cif
111083	2014-04-20	cif/ Adding structures of 7215114 via cif-deposit CGI script.	7215114.cif