Crystallography Open Database

Information card for entry 1574421

Preview

Coordinates	1574421.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Calcium copper iron disilicide
Formula	Ca Cu1.42 Fe0.58 Si2
Calculated formula	Ca Cu1.42 Fe0.58 Si2
Title of publication	CaCu1.424Fe0.576Si2
Authors of publication	Dai, Yangkun; Liu, Yibo; Mihalkovic, Marek; Wen, Bin; Zhang, Lifeng; Fan, Changzeng
Journal of publication	IUCrData
Year of publication	2025
Journal volume	10
Journal issue	4
Pages of publication	x250325
a	4.041 ± 0.003 Å
b	4.041 ± 0.003 Å
c	10.01 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	163.5 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	139
Hermann-Mauguin space group symbol	I 4/m m m
Hall space group symbol	-I 4 2
Residual factor for all reflections	0.0944
Residual factor for significantly intense reflections	0.0711
Weighted residual factors for significantly intense reflections	0.1472
Weighted residual factors for all reflections included in the refinement	0.1557
Goodness-of-fit parameter for all reflections included in the refinement	1.288
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
300370 (current)	2025-07-05	Updating bibliography information from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	1574421.cif
299330	2025-04-18	cif/ Adding structures of 1574421 via cif-deposit CGI script.	1574421.cif