Crystallography Open Database

Information card for entry 4338816

Preview

Coordinates	4338816.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	O10 Sc2 Se3
Calculated formula	O10 Sc2 Se3
Title of publication	Rich Structural Chemistry in Scandium Selenium/Tellurium Oxides: Mixed-Valent Selenite-Selenates, Sc2(SeO3)2(SeO4) and Sc2(TeO3)(SeO3)(SeO4), and Ternary Tellurite, Sc2(TeO3)3.
Authors of publication	Song, Seung Yoon; Lee, Dong Woo; Ok, Kang Min
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	13
Pages of publication	7040 - 7046
a	6.5294 ± 0.0002 Å
b	10.8557 ± 0.0004 Å
c	12.6281 ± 0.0006 Å
α	90°
β	103.543 ± 0.003°
γ	90°
Cell volume	870.21 ± 0.06 Å³
Cell temperature	298 ± 0.2 K
Ambient diffraction temperature	298 ± 0.2 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	0.13
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.0628
Weighted residual factors for all reflections included in the refinement	0.0758
Goodness-of-fit parameter for all reflections included in the refinement	0.806
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
179491 (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 4/33/88.	4338816.cif
121148	2014-08-05	cif/ Updating files of 4338816, 4338817, 4338818 Original log message: Adding full bibliography for 4338816--4338818.cif.	4338816.cif
116469	2014-06-13	cif/ Adding structures of 4338816, 4338817, 4338818 via cif-deposit CGI script.	4338816.cif