Crystallography Open Database

Information card for entry 7705172

Preview

Coordinates	7705172.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B4 Ca2 F2 I0 Li6 O10
Calculated formula	B4 Ca2 F2 Li6 O10
Title of publication	Li<sub>3</sub>CaB<sub>2</sub>O<sub>5</sub>F: a unique sandwich-like structure with diverse and wide Li ion diffusion pathways.
Authors of publication	Ding, Mengmeng; Xu, JingJing; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	35
Pages of publication	12184 - 12188
a	25.685 ± 0.002 Å
b	3.4697 ± 0.0003 Å
c	5.4404 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	484.84 ± 0.07 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0362
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.1009
Weighted residual factors for all reflections included in the refinement	0.1104
Goodness-of-fit parameter for all reflections included in the refinement	0.906
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
257567 (current)	2020-10-06	cif/ Updating files of 7705172 Original log message: Adding full bibliography for 7705172.cif.	7705172.cif
255351	2020-08-16	cif/ Adding structures of 7705172 via cif-deposit CGI script.	7705172.cif