Crystallography Open Database

Information card for entry 1562265

Preview

Coordinates	1562265.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Bi1.98 F0.36 La2.02 O1.64 Se4
Calculated formula	Bi1.984 F0.36 La2.02 O1.64 Se4
Title of publication	First single crystal growth and structural analysis of superconducting layered bismuth oxyselenide; La(O,F)BiSe2
Authors of publication	Tanaka, Masashi; Nagao, Masanori; Matsushita, Yoshitaka; Fujioka, Masaya; Denholme, Saleem J.; Yamaguchi, Takahide; Takeya, Hiroyuki; Takano, Yoshihiko
Journal of publication	Journal of Solid State Chemistry
Year of publication	2014
Journal volume	219
Pages of publication	168 - 172
a	4.1408 ± 0.0002 Å
b	4.1408 ± 0.0002 Å
c	14.1096 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	241.926 ± 0.019 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	5
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	0.0244
Residual factor for significantly intense reflections	0.0243
Weighted residual factors for significantly intense reflections	0.0634
Weighted residual factors for all reflections included in the refinement	0.0636
Goodness-of-fit parameter for all reflections included in the refinement	1.165
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
264687 (current)	2021-04-29	cif/ Adding structures of 1562265 via cif-deposit CGI script.	1562265.cif