Crystallography Open Database

Information card for entry 4310117

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Coordinates	4310117.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Barium Zinc Oxysulfide
Formula	Ba O S Zn
Calculated formula	Ba O S Zn
Title of publication	Vertex-Linked ZnO2S2 Tetrahedra in the Oxysulfide BaZnOS: a New Coordination Environment for Zinc in a Condensed Solid
Authors of publication	Sarah Broadley; Zoltán A. Gál; Furio Corà; Catherine F. Smura; Simon J. Clarke
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	9092 - 9096
a	3.9619 ± 0.0002 Å
b	12.8541 ± 0.0007 Å
c	6.1175 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	311.54 ± 0.03 Å³
Cell temperature	240 ± 2 K
Ambient diffraction temperature	240 ± 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	0.0244
Residual factor for significantly intense reflections	0.0188
Weighted residual factors for significantly intense reflections	0.0364
Weighted residual factors for all reflections included in the refinement	0.0374
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation probe	x-ray
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
179140 (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 4/31/01.	4310117.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310117.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310117.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4310117.cif