Crystallography Open Database

Information card for entry 4120252

4120251 << 4120252 >> 4120253

Preview

Coordinates	4120252.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ag0.87 Ca0.86 Nd0.14 Sb
Calculated formula	Ag0.866 Ca0.859 Nd0.141 Sb
Title of publication	Ca1-xRExAg1-ySb (RE = La, Ce, Pr, Nd, Sm; 0 <=x<=1; 0 <=y<=1): Interesting Structural Transformation and Enhanced High-Temperature Thermoelectric Performance
Authors of publication	Jian Wang; Xiao-Cun Liu; Sheng-Qing Xia; Xu-Tang Tao
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	11840 - 11848
a	4.6931 ± 0.0012 Å
b	4.6931 ± 0.0012 Å
c	7.753 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	147.88 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	186
Hermann-Mauguin space group symbol	P 63 m c
Hall space group symbol	P 6c -2c
Residual factor for all reflections	0.0297
Residual factor for significantly intense reflections	0.0234
Weighted residual factors for significantly intense reflections	0.0441
Weighted residual factors for all reflections included in the refinement	0.0464
Goodness-of-fit parameter for all reflections included in the refinement	1.122
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
178979 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/02.	4120252.cif
105912	2014-03-14	cif/ Adding structures of 4120252 via cif-deposit CGI script.	4120252.cif