Crystallography Open Database

Information card for entry 4341418

Preview

Coordinates	4341418.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Bi12 Li2 O31 S4
Calculated formula	Bi12 Li2 O31 S4
Title of publication	Investigation of New Alkali Bismuth Oxosulfates and Oxophosphates with Original Topologies of Oxo-Centered Units
Authors of publication	Lü, Minfeng; Colmont, Marie; Huvé, Marielle; De Waele, Isabelle; Terryn, Christine; Aliev, Almaz; Mentré, Olivier
Journal of publication	Inorganic Chemistry
Year of publication	2014
Pages of publication	141031160816001
a	23.0661 ± 0.001 Å
b	11.433 ± 0.0005 Å
c	11.2237 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2959.9 ± 0.2 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0785
Residual factor for significantly intense reflections	0.0646
Weighted residual factors for significantly intense reflections	0.0725
Weighted residual factors for all reflections included in the refinement	0.0736
Goodness-of-fit parameter for significantly intense reflections	2.92
Goodness-of-fit parameter for all reflections included in the refinement	2.75
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.	4341418.cif
126145	2014-11-01	cif/ Adding structures of 4341418 via cif-deposit CGI script.	4341418.cif