Crystallography Open Database

Information card for entry 7245029

Preview

Coordinates	7245029.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ge2 O S6 Sr2 Zn
Calculated formula	Ge2 O S6 Sr2 Zn
Title of publication	From oxides to oxysulfides: the mixed-anion GeS3O unit induces huge improvement in the nonlinear optical effect and optical anisotropy for potential nonlinear optical materials
Authors of publication	Tian, Xinyu; Zhang, Xiaodong; Xiao, Yan; Wu, Xiaowen; Zhang, Bingbing; Yang, Daqing; Wu, Kui
Journal of publication	RSC Advances
Year of publication	2022
Journal volume	12
Journal issue	25
Pages of publication	16296 - 16300
a	9.4322 ± 0.0006 Å
b	9.4322 ± 0.0006 Å
c	6.1813 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	549.93 ± 0.07 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	5
Space group number	113
Hermann-Mauguin space group symbol	P -4 21 m
Hall space group symbol	P -4 2ab
Residual factor for all reflections	0.0132
Residual factor for significantly intense reflections	0.0128
Weighted residual factors for significantly intense reflections	0.0285
Weighted residual factors for all reflections included in the refinement	0.0286
Goodness-of-fit parameter for all reflections included in the refinement	0.862
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
275736 (current)	2022-06-02	cif/ Adding structures of 7245028, 7245029 via cif-deposit CGI script.	7245029.cif