Crystallography Open Database

Information card for entry 4108613

Preview

Coordinates	4108613.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ag2 Ba2 O2 Se2 Zn0.953
Calculated formula	Ag2 Ba2 O2 Se2 Zn0.952
Title of publication	Fragmentation of an Infinite ZnO2 Square Plane into Discrete [ZnO2]2- Linear Units in the Oxyselenide Ba2ZnO2Ag2Se2
Authors of publication	Sebastian J. C. Herkelrath; Ian Saratovsky; Joke Hadermann; Simon J. Clarke
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	14426 - 14427
a	19.8377 ± 0.0016 Å
b	6.0562 ± 0.0006 Å
c	6.057 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	727.69 ± 0.11 Å³
Cell temperature	150 ± 2 K
Number of distinct elements	5
Space group number	64
Hermann-Mauguin space group symbol	C m c a
Hall space group symbol	-C 2ac 2
Residual factor for significantly intense reflections	0.0273
Weighted residual factors for all reflections included in the refinement	0.065
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4108613.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108613.cif
56978	2012-05-16	cif/ Adding structures of 4108613 via cif-deposit CGI script.	4108613.cif