Crystallography Open Database

Information card for entry 4106298

Preview

Coordinates	4106298.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ga13.87 S5.39 Se27.67 Sn2.13 Zn4
Calculated formula	Ga13.88 S5.37 Se27.67 Sn2.12 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	23.7021 ± 0.0003 Å
b	23.7021 ± 0.0003 Å
c	42.1858 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	23699.5 ± 0.6 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	0.1409
Residual factor for significantly intense reflections	0.0744
Weighted residual factors for significantly intense reflections	0.2158
Weighted residual factors for all reflections included in the refinement	0.3201
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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