Crystallography Open Database

Information card for entry 4106300

Preview

Coordinates	4106300.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ga14.17 S5.52 Se27.57 Sn1.83 Zn4
Calculated formula	Ga14.1696 S5.4919 Se27.5033 Sn1.8328 Zn4
Title of publication	Phase Selection and Site-Selective Distribution by Tin and Sulfur in Supertetrahedral Zinc Gallium Selenides
Authors of publication	Tao Wu; Xianhui Bu; Xiang Zhao; Ripsime Khazhakyan; Pingyun Feng
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	9616 - 9625
a	23.5849 ± 0.0003 Å
b	23.5849 ± 0.0003 Å
c	41.871 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	23290.6 ± 1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	142
Hermann-Mauguin space group symbol	I 41/a c d :2
Hall space group symbol	-I 4bd 2c
Residual factor for all reflections	0.1124
Residual factor for significantly intense reflections	0.0639
Weighted residual factors for significantly intense reflections	0.2135
Weighted residual factors for all reflections included in the refinement	0.2629
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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