Crystallography Open Database

Information card for entry 2108771

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Structure parameters

Formula	Cu2 Ge Se3
Calculated formula	Cu2 Ge Se3
Title of publication	The crystal structure of Cu~2~GeSe~3~ and the structure-types of the I~2~-IV-VI~3~ family of semiconducting compounds
Authors of publication	Dugarte-Dugarte, Analio; Ramírez Pineda, Nahum; Nieves, Luis; Henao, José Antonio; Díaz de Delgado, Graciela; Delgado, José Miguel
Journal of publication	Acta Crystallographica Section B
Year of publication	2021
Journal volume	77
Journal issue	1
Pages of publication	158 - 167
a	6.7703 ± 0.0004 Å
b	11.8624 ± 0.0005 Å
c	6.7705 ± 0.0004 Å
α	90°
β	108.512 ± 0.006°
γ	90°
Cell volume	515.62 ± 0.05 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	3
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0311
Residual factor for significantly intense reflections	0.027
Weighted residual factors for significantly intense reflections	0.0741
Weighted residual factors for all reflections included in the refinement	0.077
Goodness-of-fit parameter for all reflections included in the refinement	1.163
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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