Crystallography Open Database

Information card for entry 4001920

4001919 << 4001920 >> 4001921

Preview

Coordinates	4001920.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ga4 S7 Sn
Calculated formula	Ga4 S7 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	7.269 ± 0.005 Å
b	6.361 ± 0.004 Å
c	12.408 ± 0.008 Å
α	90°
β	106.556 ± 0.011°
γ	90°
Cell volume	549.9 ± 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	0.0203
Residual factor for significantly intense reflections	0.0196
Weighted residual factors for significantly intense reflections	0.0418
Weighted residual factors for all reflections included in the refinement	0.0419
Goodness-of-fit parameter for all reflections included in the refinement	0.979
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.	4001920.cif
112702	2014-05-04	cif/ Updating files of 4001920, 4001921 Original log message: Adding full bibliography for 4001920--4001921.cif.	4001920.cif
108434	2014-04-02	cif/ Adding structures of 4001920, 4001921 via cif-deposit CGI script.	4001920.cif