Crystallography Open Database

Information card for entry 4002064

4002063 << 4002064 >> 4002065

Preview

Coordinates	4002064.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cu5.6 Se8 Sn2.4
Calculated formula	Cu5.598 Se8 Sn2.402
Title of publication	Crystal Structure and Physical Properties of Ternary Phases around the Composition Cu5Sn2Se7with Tetrahedral Coordination of Atoms
Authors of publication	Fan, Jing; Carrillo-Cabrera, Wilder; Antonyshyn, Iryna; Prots, Yurii; Veremchuk, Igor; Schnelle, Walter; Drathen, Christina; Chen, Lidong; Grin, Yuri
Journal of publication	Chemistry of Materials
Year of publication	2014
Journal volume	26
Journal issue	18
Pages of publication	5244
a	5.74738 ± 0.00001 Å
b	5.74738 ± 0.00001 Å
c	11.45583 ± 0.00003 Å
α	90°
β	90°
γ	90°
Cell volume	378.413 ± 0.0014 Å³
Cell temperature	873 K
Ambient diffraction temperature	873 K
Number of distinct elements	3
Space group number	121
Hermann-Mauguin space group symbol	I -4 2 m
Hall space group symbol	I -4 2
Residual factor R(I) for significantly intense reflections	0.0315
Goodness-of-fit parameter for all reflections	1.02
Method of determination	powder diffraction
Diffraction radiation wavelength	0.430459 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4002064.cif
124648	2014-10-06	cif/ Updating files of 4002063, 4002064 Original log message: Adding full bibliography for 4002063--4002064.cif.	4002064.cif
123706	2014-09-11	cif/ Adding structures of 4002064 via cif-deposit CGI script.	4002064.cif