Crystallography Open Database

Information card for entry 4307113

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Coordinates	4307113.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba6.76 Cu2.42 Te14
Calculated formula	Ba6.763 Cu2.421 Te14
Title of publication	Structures and Physical Properties of New Semiconducting Gold and Copper Polytellurides: Ba7Au2Te14 and Ba6.76Cu2.42Te14
Authors of publication	Yanjie Cui; Abdeljalil Assoud; Jianxiao Xu; Holger Kleinke
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	1215 - 1221
a	14.1332 ± 0.0004 Å
b	14.1332 ± 0.0004 Å
c	9.2108 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	1593.34 ± 0.12 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	3
Space group number	193
Hermann-Mauguin space group symbol	P 63/m c m
Hall space group symbol	-P 6c 2
Residual factor for all reflections	0.0378
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0799
Weighted residual factors for all reflections included in the refinement	0.0803
Goodness-of-fit parameter for all reflections included in the refinement	1.243
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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