Crystallography Open Database

Information card for entry 7121798

Preview

Coordinates	7121798.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B5 F O8 Pb
Calculated formula	B5 F O8 Pb
Title of publication	The first lead fluorooxoborate PbB<sub>5</sub>O<sub>8</sub>F: achieving the coexistence of large birefringence and deep-ultraviolet cut-off edge.
Authors of publication	Mutailipu, Miriding; Zhang, Min; Zhang, Bingbing; Yang, Zhihua; Pan, Shilie
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	49
Pages of publication	6308 - 6311
a	10.885 ± 0.003 Å
b	9.108 ± 0.002 Å
c	13.576 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1345.9 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0323
Residual factor for significantly intense reflections	0.0218
Weighted residual factors for significantly intense reflections	0.0444
Weighted residual factors for all reflections included in the refinement	0.0481
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
228494 (current)	2019-11-17	cif/ Updating files of 7121798 Original log message: Adding full bibliography for 7121798.cif.	7121798.cif
208085	2018-06-01	cif/ Adding structures of 7121798 via cif-deposit CGI script.	7121798.cif