Crystallography Open Database

Information card for entry 4339694

Preview

Coordinates	4339694.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ag4 Ba2 Se5
Calculated formula	Ag4 Ba2 Se5
Title of publication	Structures and physical properties of new semiconducting polyselenides Ba2CudeltaAg4-deltaSe5 with unprecedented linear Se(3)4- units.
Authors of publication	Assoud, Abdeljalil; Xu, Jianxiao; Kleinke, Holger
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	23
Pages of publication	9906 - 9911
a	16.189 ± 0.002 Å
b	4.5528 ± 0.0006 Å
c	9.2497 ± 0.0013 Å
α	90°
β	124.572 ± 0.003°
γ	90°
Cell volume	561.36 ± 0.13 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
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	0.0304
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for significantly intense reflections	0.0601
Weighted residual factors for all reflections included in the refinement	0.0613
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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
179499 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/96.	4339694.cif
117479	2014-06-15	cif/ Adding structures of 4339694 via cif-deposit CGI script.	4339694.cif