Crystallography Open Database

Information card for entry 4329803

Preview

Coordinates	4329803.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	As1.12 Cd4 Cu6.88
Calculated formula	As1.12 Cd4 Cu6.88
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	7.0779 ± 0.0008 Å
b	7.0779 ± 0.0008 Å
c	7.0779 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	354.58 ± 0.07 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	227
Hermann-Mauguin space group symbol	F d -3 m :2
Hall space group symbol	-F 4vw 2vw 3
Residual factor for all reflections	0.0163
Residual factor for significantly intense reflections	0.0163
Weighted residual factors for all reflections	0.0373
Weighted residual factors for significantly intense reflections	0.0373
Goodness-of-fit parameter for all reflections	3
Goodness-of-fit parameter for significantly intense reflections	3
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.	4329803.cif
79044	2013-04-04	cif/ Adding structures of 4329803 via cif-deposit CGI script.	4329803.cif