Crystallography Open Database

Information card for entry 4002837

Preview

Coordinates	4002837.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ag6 Ge10 P12
Calculated formula	Ag6 Ge10 P12
Title of publication	Phosphide‒Tetrahedrite Ag6Ge10P12: Thermoelectric Performance of a Long-Forgotten Silver-Cluster Compound
Authors of publication	Nuss, Jürgen; Wedig, Ulrich; Xie, Wenjie; Yordanov, Petar; Bruin, Jan; Hübner, Ralph; Weidenkaff, Anke; Takagi, Hidenori
Journal of publication	Chemistry of Materials
Year of publication	2017
Journal volume	29
Journal issue	16
Pages of publication	6956
a	10.2959 ± 0.0013 Å
b	10.2959 ± 0.0013 Å
c	10.2959 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	1091.4 ± 0.2 Å³
Cell temperature	40 ± 0.2 K
Ambient diffraction temperature	40 ± 0.2 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	0.0147
Residual factor for significantly intense reflections	0.0127
Weighted residual factors for significantly intense reflections	0.0254
Weighted residual factors for all reflections included in the refinement	0.034
Goodness-of-fit parameter for all reflections included in the refinement	1.387
Diffraction radiation probe	x-ray
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
200652 (current)	2017-09-12	cif/ Updating files of 4002837 Original log message: Adding full bibliography for 4002837.cif.	4002837.cif
199721	2017-08-12	cif/ Adding structures of 4002837 via cif-deposit CGI script.	4002837.cif