Crystallography Open Database

Information card for entry 4329802

Preview

Coordinates	4329802.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	As Cd4 Cu7
Calculated formula	As Cd4 Cu7
Title of publication	Cd4Cu7As, The First Representative of a Fully Ordered, Orthorhombically Distorted MgCu2 Laves Phase
Authors of publication	Oliver Osters; Tom Nilges; Michael Schöneich; Peer Schmidt; Jan Rothballer; Florian Pielnhofer; Richard Weihrich
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	8119 - 8127
a	9.8833 ± 0.0007 Å
b	7.1251 ± 0.0003 Å
c	5.0895 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	358.4 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	58
Hermann-Mauguin space group symbol	P n n m
Hall space group symbol	-P 2 2n
Residual factor for all reflections	0.0247
Residual factor for significantly intense reflections	0.0175
Weighted residual factors for all reflections	0.041
Weighted residual factors for significantly intense reflections	0.0377
Goodness-of-fit parameter for all reflections	1.29
Goodness-of-fit parameter for significantly intense reflections	1.27
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4329802.cif
79043	2013-04-04	cif/ Adding structures of 4329802 via cif-deposit CGI script.	4329802.cif