Crystallography Open Database

Information card for entry 4002166

Preview

Coordinates	4002166.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ca14 Mg Sb11
Calculated formula	Ca14 Mg Sb10.908
Title of publication	Yb14MgSb11and Ca14MgSb11—New Mg-Containing Zintl Compounds and Their Structures, Bonding, and Thermoelectric Properties
Authors of publication	Hu, Yufei; Wang, Jian; Kawamura, Airi; Kovnir, Kirill; Kauzlarich, Susan M.
Journal of publication	Chemistry of Materials
Year of publication	2015
Journal volume	27
Journal issue	1
Pages of publication	343
a	16.693 ± 0.002 Å
b	16.693 ± 0.002 Å
c	22.577 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	6291.2 ± 1.8 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	3
Space group number	142
Hermann-Mauguin space group symbol	I 41/a c d :2
Hall space group symbol	-I 4bd 2c
Residual factor for all reflections	0.0792
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.0752
Weighted residual factors for all reflections included in the refinement	0.0907
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4002166.cif
130303	2015-02-03	cif/ Adding structures of 4002166, 4002167 via cif-deposit CGI script.	4002166.cif