Crystallography Open Database

Information card for entry 4337092

Preview

Coordinates	4337092.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Li0.976 Pb0.911 S6 Sb3.068
Calculated formula	Li0.975 Pb0.911 S6 Sb3.068
Title of publication	LiPbSb3S6: A Semiconducting Sulfosalt with Very Low Thermal Conductivity.
Authors of publication	Agha, Eva C.; Malliakas, Christos D.; Im, Jino; Jin, Hosub; Zhao, Li-Dong; Freeman, Arthur J.; Kanatzidis, Mercouri G.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	2
Pages of publication	673 - 675
a	6.8964 ± 0.0005 Å
b	19.7941 ± 0.0018 Å
c	8.3942 ± 0.0006 Å
α	90°
β	108.038 ± 0.005°
γ	90°
Cell volume	1089.56 ± 0.15 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
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	0.0629
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for significantly intense reflections	0.1651
Weighted residual factors for all reflections included in the refinement	0.1675
Goodness-of-fit parameter for significantly intense reflections	1.71
Goodness-of-fit parameter for all reflections included in the refinement	1.65
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4337092.cif
106155	2014-03-15	cif/ Adding structures of 4337092 via cif-deposit CGI script.	4337092.cif