Crystallography Open Database

Information card for entry 4001669

Preview

Coordinates	4001669.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ag3 In2 Mo15 Se19
Calculated formula	Ag2.9874 In2 Mo15 Se19
Title of publication	Synthesis, Crystal and Electronic Structures, and Thermoelectric Properties of the Novel Cluster Compound Ag3In2Mo15Se19
Authors of publication	Gougeon, Patrick; Gall, Philippe; Al Rahal Al Orabi, Rabih; Fontaine, Bruno; Gautier, Régis; Potel, Michel; Zhou, Tong; Lenoir, Bertrand; Colin, Malika; Candolfi, Christophe; Dauscher, Anne
Journal of publication	Chemistry of Materials
Year of publication	2012
Journal volume	24
Journal issue	15
Pages of publication	2899
a	9.9755 ± 0.0001 Å
b	9.9755 ± 0.0001 Å
c	57.2943 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	4937.55 ± 0.1 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0555
Residual factor for significantly intense reflections	0.0293
Weighted residual factors for significantly intense reflections	0.0512
Weighted residual factors for all reflections included in the refinement	0.0562
Goodness-of-fit parameter for significantly intense reflections	1.17
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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.	4001669.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4001669.cif
66225	2012-09-09	cif/ Adding structures of 4001669 via cif-deposit CGI script.	4001669.cif