Crystallography Open Database

Information card for entry 7024291

Preview

Coordinates	7024291.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	As0.49 Ba2 Cd2 Sb2.51
Calculated formula	As0.492 Ba2 Cd2 Sb2.508
Title of publication	Synthesis, crystallographic and theoretical studies of the new Zintl phases Ba2Cd2Pn3 (Pn = As, Sb), and the solid solutions (Ba(1-x)Sr(x))2Cd2Sb3 and Ba2Cd2(Sb(1-x)As(x))3.
Authors of publication	Saparov, Bayrammurad; He, Hua; Zhang, Xiaohang; Greene, Richard; Bobev, Svilen
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	4
Pages of publication	1063 - 1070
a	17.897 ± 0.005 Å
b	4.7684 ± 0.0012 Å
c	13.276 ± 0.004 Å
α	90°
β	126.615 ± 0.004°
γ	90°
Cell volume	909.4 ± 0.4 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	4
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0612
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.0722
Weighted residual factors for all reflections included in the refinement	0.0813
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
179947 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/42.	7024291.cif
92351	2014-01-12	cif/ Adding structures of 7024287, 7024288, 7024289, 7024290, 7024291 via cif-deposit CGI script.	7024291.cif