Crystallography Open Database

Information card for entry 2311337

Preview

Coordinates	2311337.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Lanthanum calcium bismuth oxide fluoride disulfide
Formula	Bi0.857 Ca0.143 F0.143 La O0.857 S2
Calculated formula	Bi0.857 Ca0.143 F0.143 La O0.857 S2
Title of publication	Crystal structure and magnetic properties of LaCa0.143 (4)O0.857 (4)F0.143 (4)Bi0.857 (4)S2.
Authors of publication	Huang, Rongtie; Zhang, Hui; Wang, Dong; Cai, Chuanbing; Huang, Fuqiang
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2016
Journal volume	72
Journal issue	Pt 6
Pages of publication	845 - 848
a	4.0548 ± 0.0009 Å
b	4.0548 ± 0.0009 Å
c	13.37 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	219.82 ± 0.08 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	6
Space group number	129
Hermann-Mauguin space group symbol	P 4/n m m :2
Hall space group symbol	-P 4a 2a
Residual factor for all reflections	0.02
Residual factor for significantly intense reflections	0.0197
Weighted residual factors for significantly intense reflections	0.0489
Weighted residual factors for all reflections included in the refinement	0.0524
Goodness-of-fit parameter for all reflections included in the refinement	1.305
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
245805 (current)	2019-12-25	cif/ Adding structures of 2311337 via cif-deposit CGI script.	2311337.cif