Crystallography Open Database

Information card for entry 4106299

Preview

Coordinates	4106299.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ga13.06 S3.3 Se29.7 Sn2.94 Zn4
Calculated formula	Ga13.0608 S3.2994 Se29.7 Sn2.9388 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	23.6724 ± 0.0002 Å
b	23.6724 ± 0.0002 Å
c	42.266 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	23685.1 ± 0.5 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	0.1209
Residual factor for significantly intense reflections	0.0705
Weighted residual factors for significantly intense reflections	0.2373
Weighted residual factors for all reflections included in the refinement	0.2865
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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