Crystallography Open Database

Information card for entry 7127692

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Coordinates	7127692.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	As14 Ba Ge8
Calculated formula	As14 Ba Ge8
Title of publication	BaGe<sub>8</sub>As<sub>14</sub>: a semiconducting sodalite-type compound.
Authors of publication	Weippert, Valentin; Chau, Thanh; Witthaut, Kristian; Eisenburger, Lucien; Johrendt, Dirk
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	11
Pages of publication	1332 - 1335
a	10.306 ± 0.0002 Å
b	10.306 ± 0.0002 Å
c	10.306 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1094.64 ± 0.04 Å³
Cell temperature	218 ± 2 K
Ambient diffraction temperature	218 ± 2 K
Number of distinct elements	3
Space group number	217
Hermann-Mauguin space group symbol	I -4 3 m
Hall space group symbol	I -4 2 3
Residual factor for all reflections	0.012
Residual factor for significantly intense reflections	0.0116
Weighted residual factors for significantly intense reflections	0.0373
Weighted residual factors for all reflections included in the refinement	0.0374
Goodness-of-fit parameter for all reflections included in the refinement	1.418
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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