Crystallography Open Database

Information card for entry 7026685

Preview

Coordinates	7026685.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba Cd F Sb
Calculated formula	Ba Cd F Sb
Title of publication	Synthesis, crystal and electronic structures of the new quaternary phases A5Cd2Sb5F (A = Sr, Ba, Eu), and Ba5Cd2Sb5O(x) (0.5<x<0.7).
Authors of publication	Saparov, Bayrammurad; Bobev, Svilen
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	47
Pages of publication	11335 - 11343
a	4.5792 ± 0.0009 Å
b	4.5792 ± 0.0009 Å
c	9.74 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	204.24 ± 0.1 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	129
Hermann-Mauguin space group symbol	P 4/n m m :2
Hall space group symbol	-P 4a 2a
Residual factor for all reflections	0.0251
Residual factor for significantly intense reflections	0.0194
Weighted residual factors for significantly intense reflections	0.0386
Weighted residual factors for all reflections included in the refinement	0.0406
Goodness-of-fit parameter for all reflections included in the refinement	1.102
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7026685.cif
93563	2014-01-13	cif/ Adding structures of 7026681, 7026682, 7026683, 7026684, 7026685, 7026686, 7026687 via cif-deposit CGI script.	7026685.cif