Crystallography Open Database

Information card for entry 7026682

Preview

Coordinates	7026682.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba5 Cd2 O0.59 Sb5
Calculated formula	Ba4.988 Cd2 O0.59 Sb5
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	4.9582 ± 0.0005 Å
b	23.346 ± 0.002 Å
c	15.2796 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	1768.7 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.027
Residual factor for significantly intense reflections	0.0227
Weighted residual factors for significantly intense reflections	0.0497
Weighted residual factors for all reflections included in the refinement	0.0515
Goodness-of-fit parameter for all reflections included in the refinement	1.142
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.	7026682.cif
93563	2014-01-13	cif/ Adding structures of 7026681, 7026682, 7026683, 7026684, 7026685, 7026686, 7026687 via cif-deposit CGI script.	7026682.cif