Crystallography Open Database

Information card for entry 7030418

Preview

Coordinates	7030418.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cu0.56 P2 Si1.44
Calculated formula	Cu0.552 P2 Si1.448
Title of publication	Composition, structure, bonding and thermoelectric properties of "CuT2P3" and "CuT4P3", members of the T(1-x)(CuP3)x series with T being Si and Ge.
Authors of publication	Wang, Peng; Ahmadpour, Faraz; Kolodiazhnyi, Taras; Kracher, Alfred; Cranswick, Lachlan M. D.; Mozharivskyj, Yurij
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	4
Pages of publication	1105 - 1112
a	3.6953 ± 0.001 Å
b	3.6953 ± 0.001 Å
c	5.225 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	71.35 ± 0.03 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	119
Hermann-Mauguin space group symbol	I -4 m 2
Hall space group symbol	I -4 -2
Residual factor for all reflections	0.0173
Residual factor for significantly intense reflections	0.0118
Weighted residual factors for significantly intense reflections	0.0186
Weighted residual factors for all reflections included in the refinement	0.0192
Goodness-of-fit parameter for all reflections included in the refinement	0.971
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
180010 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/04.	7030418.cif
112314	2014-04-30	cif/ Adding structures of 7030418, 7030419, 7030420, 7030421 via cif-deposit CGI script.	7030418.cif