Crystallography Open Database

Information card for entry 4334905

Preview

Coordinates	4334905.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al Ca Si
Calculated formula	Al0.74 Ca Si1.26
Title of publication	High-Pressure Synthesis and Superconductivity of the Laves Phase Compound Ca(Al,Si)2 Composed of Truncated Tetrahedral Cages Ca@(Al,Si)12
Authors of publication	Masashi Tanaka; Shuai Zhang; Kei Inumaru; Shoji Yamanaka
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	6039 - 6045
a	7.754 ± 0.005 Å
b	7.754 ± 0.005 Å
c	7.754 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	466.2 ± 0.5 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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	0.0287
Residual factor for significantly intense reflections	0.0202
Weighted residual factors for significantly intense reflections	0.0528
Weighted residual factors for all reflections included in the refinement	0.0546
Goodness-of-fit parameter for all reflections included in the refinement	1.15
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.	4334905.cif
100790	2014-02-07	cif/ Adding structures of 4334905 via cif-deposit CGI script.	4334905.cif