Crystallography Open Database

Information card for entry 4510598

Preview

Coordinates	4510598.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Bi6 Cl10 O12 Se4
Calculated formula	Bi6 Cl10 O12 Se4
Title of publication	Revised Bismuth Chloroselenite System: Evidence of a Noncentrosymmmetric Structure with a Giant Unit Cell
Authors of publication	Aliev, Almaz; Kovrugin, V. M.; Colmont, Marie; Terryn, Christine; Huvé, Marielle; Siidra, O. I.; Krivovichev, S. V.; Mentré, Olivier
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	6
Pages of publication	3026
a	21.46 ± 0.002 Å
b	8.4012 ± 0.0009 Å
c	15.337 ± 0.0018 Å
α	90°
β	110.639 ± 0.005°
γ	90°
Cell volume	2587.6 ± 0.5 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
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	0.0427
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.033
Weighted residual factors for all reflections included in the refinement	0.0442
Goodness-of-fit parameter for significantly intense reflections	1.46
Goodness-of-fit parameter for all reflections included in the refinement	1.76
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.	4510598.cif
119068	2014-07-05	cif/ Updating files of 4510598, 4510599, 4510600 Original log message: Adding full bibliography for 4510598--4510600.cif.	4510598.cif
113013	2014-05-08	cif/ Adding structures of 4510598 via cif-deposit CGI script.	4510598.cif