Crystallography Open Database

Information card for entry 4318708

Preview

Coordinates	4318708.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba F22 Sb2 Xe5
Calculated formula	Ba F22 Sb2 Xe5
SMILES	F[Xe]F.F[Xe]F.[Ba+2].F[Xe]F.[F-][Sb](F)(F)(F)(F)F.[Xe](F)F.F[Xe]F.[F-][Sb](F)(F)(F)(F)F
Title of publication	Ba(SbF6)2.5XeF2: First Xenon(II) Compound with Barium. Synthesis, Vibrational Spectra, and Crystal Structure
Authors of publication	Alenka Turičnik; Primož Benkič; Boris Žemva
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	5521 - 5524
a	13.599 ± 0.006 Å
b	12.086 ± 0.004 Å
c	9.732 ± 0.005 Å
α	90°
β	134.305 ± 0.006°
γ	90°
Cell volume	1144.7 ± 0.9 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.068
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1438
Weighted residual factors for all reflections included in the refinement	0.1537
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179267 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/87.	4318708.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4318708.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4318708.cif
15429	2011-03-16	../uploads/cif-deposit/cod/cif Adding structures of 4318708 via cif-deposit CGI script.	4318708.cif