Crystallography Open Database

Information card for entry 4345660

Preview

Coordinates	4345660.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	barium lithium sodium fluoride borate
Formula	B7 Ba12 F4 Li0.5 Na0.5 O21
Calculated formula	B7 Ba12 F4 Li0.6 Na0.4 O21
Title of publication	Growth and Optical Properties of LixNa1-xBa12(BO3)7F4 Fluoride Borates with "Antizeolite" Structure.
Authors of publication	Bekker, Tatyana B.; Rashchenko, Sergey V.; Solntsev, Vladimir P.; Yelisseyev, Alexander P.; Kragzhda, Alexander A.; Bakakin, Vladimir V.; Seryotkin, Yuriy V.; Kokh, Alexander E.; Kokh, Konstantin A.; Kuznetsov, Artem B.
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	9
Pages of publication	5411 - 5419
a	13.56238 ± 0.00006 Å
b	13.56238 ± 0.00006 Å
c	14.93712 ± 0.00013 Å
α	90°
β	90°
γ	90°
Cell volume	2747.51 ± 0.03 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	106
Hermann-Mauguin space group symbol	P 42 b c
Hall space group symbol	P 4c -2ab
Residual factor for all reflections	0.0287
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.0644
Weighted residual factors for all reflections included in the refinement	0.0646
Goodness-of-fit parameter for all reflections included in the refinement	1.21
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
196117 (current)	2017-05-05	cif/ Updating files of 4345660 Original log message: Adding full bibliography for 4345660.cif.	4345660.cif
195330	2017-04-12	cif/ Adding structures of 4345660 via cif-deposit CGI script.	4345660.cif