Crystallography Open Database

Information card for entry 4337479

Preview

Coordinates	4337479.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Ba3Nb2Se9
Formula	Ba3 Nb2 Se9
Calculated formula	Ba3 Nb2 Se9
Title of publication	Ba3TM2Se9 (TM = Nb, Ta): synthesis and characterization of new polyselenides.
Authors of publication	Chung, Ming-Yan; Lee, Chi-Shen
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	1
Pages of publication	80 - 84
a	7.3591 ± 0.0018 Å
b	12.383 ± 0.003 Å
c	17.574 ± 0.004 Å
α	90°
β	97.147 ± 0.005°
γ	90°
Cell volume	1589 ± 0.7 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0455
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0565
Weighted residual factors for all reflections included in the refinement	0.062
Goodness-of-fit parameter for all reflections included in the refinement	0.992
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
179477 (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 4/33/74.	4337479.cif
106404	2014-03-15	cif/ Adding structures of 4337479, 4337480 via cif-deposit CGI script.	4337479.cif