Crystallography Open Database

Information card for entry 7049553

Preview

Coordinates	7049553.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ga2 Ge Se6 Sn
Calculated formula	Ga2 Ge Se6 Sn
Title of publication	SnGa<sub>2</sub>GeSe<sub>6</sub>, a benign addition to the AMM<sup>IV</sup>Q<sub>6</sub> family: synthesis, crystal structure and nonlinear optical performance.
Authors of publication	Li, Zhuang; Zhang, Shengzi; Guo, Yangwu; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	19
Pages of publication	6638 - 6644
a	47.195 ± 0.009 Å
b	7.5213 ± 0.0015 Å
c	12.183 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	4324.6 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.04
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.0699
Weighted residual factors for all reflections included in the refinement	0.0717
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
224169 (current)	2019-11-08	cif/ Updating files of 7049553 Original log message: Adding full bibliography for 7049553.cif.	7049553.cif
214459	2019-04-03	cif/ Adding structures of 7049553 via cif-deposit CGI script.	7049553.cif