Crystallography Open Database

Information card for entry 7063926

Preview

Coordinates	7063926.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba4 Ge2 Sb2 Se1.83 Te8.17
Calculated formula	Ba4 Ge2 Sb2 Se1.827 Te8.173
Title of publication	Ba4Ge2Sb2Te8Se2 and Ba2Ge2Te4.5Se0.5: complex heteroanionic Ge-containing phases with extremely low thermal conductivities
Authors of publication	Yadav, Sweta; Swati,; Prakash, Jai
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	33
Pages of publication	14131 - 14141
a	13.8292 ± 0.0003 Å
b	13.2771 ± 0.0003 Å
c	13.3769 ± 0.0003 Å
α	90°
β	90.079 ± 0.001°
γ	90°
Cell volume	2456.15 ± 0.09 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0246
Residual factor for significantly intense reflections	0.0194
Weighted residual factors for significantly intense reflections	0.0377
Weighted residual factors for all reflections included in the refinement	0.039
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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