Crystallography Open Database

Information card for entry 4001639

Preview

Coordinates	4001639.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	In2 O15 Se6
Calculated formula	In2 O15 Se6
Title of publication	New Selenites: Syntheses, Structures, and Characterization of Centrosymmetric Al2(Se2O5)3and Ga2(Se2O5)3and Non-centrosymmetric In2(Se2O5)3
Authors of publication	Ok, Kang Min; Halasyamani, P. Shiv
Journal of publication	Chemistry of Materials
Year of publication	2002
Journal volume	14
Journal issue	5
Pages of publication	2360
a	11.1463 ± 0.0005 Å
b	13.321 ± 0.0006 Å
c	9.7149 ± 0.0004 Å
α	90°
β	105.478 ± 0.001°
γ	90°
Cell volume	1390.15 ± 0.11 Å³
Cell temperature	293 ± 0.2 K
Ambient diffraction temperature	293 ± 0.2 K
Number of distinct elements	3
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0316
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.0813
Weighted residual factors for all reflections included in the refinement	0.0825
Goodness-of-fit parameter for all reflections included in the refinement	0.902
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
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4001639.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4001639.cif
53952	2012-04-20	cif/ Adding structures of 4001639 via cif-deposit CGI script.	4001639.cif