Crystallography Open Database

Information card for entry 7063929

Preview

Coordinates	7063929.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba4 Ge2 Sb2 Se1.79 Te8.21
Calculated formula	Ba4 Ge2 Sb2 Se1.794 Te8.206
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	13.3789 ± 0.0008 Å
b	13.2844 ± 0.0008 Å
c	13.8394 ± 0.0008 Å
α	90°
β	90.106 ± 0.002°
γ	90°
Cell volume	2459.7 ± 0.3 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	0.0425
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.1174
Weighted residual factors for all reflections included in the refinement	0.1187
Goodness-of-fit parameter for all reflections included in the refinement	1.209
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
302722 (current)	2025-10-06	cif/ Updating files of 7063926, 7063927, 7063928, 7063929 Original log message: Adding full bibliography for 7063926--7063929.cif.	7063929.cif
301412	2025-07-31	cif/ Adding structures of 7063926, 7063927, 7063928, 7063929 via cif-deposit CGI script.	7063929.cif