Crystallography Open Database

Information card for entry 4001921

4001920 << 4001921 >> 4001922

Preview

Coordinates	4001921.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ga4 Se7 Sn
Calculated formula	Ga4 Se7 Sn
Title of publication	SHG Materials SnGa4Q7(Q = S, Se) Appearing with Large Conversion Efficiencies, High Damage Thresholds, and Wide Transparencies in the Mid-Infrared Region
Authors of publication	Luo, Zhong-Zhen; Lin, Chen-Sheng; Cui, Hong-Hua; Zhang, Wei-Long; Zhang, Hao; He, Zhang-Zhen; Cheng, Wen-Dan
Journal of publication	Chemistry of Materials
Year of publication	2014
Journal volume	26
Journal issue	8
Pages of publication	2743
a	7.577 ± 0.004 Å
b	6.666 ± 0.003 Å
c	13.023 ± 0.008 Å
α	90°
β	106.68 ± 0.007°
γ	90°
Cell volume	630.1 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0562
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1099
Weighted residual factors for all reflections included in the refinement	0.1158
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4001921.cif
112702	2014-05-04	cif/ Updating files of 4001920, 4001921 Original log message: Adding full bibliography for 4001920--4001921.cif.	4001921.cif
108434	2014-04-02	cif/ Adding structures of 4001920, 4001921 via cif-deposit CGI script.	4001921.cif