Crystallography Open Database

Information card for entry 4506372

Preview

Coordinates	4506372.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Barium Strontium Fluoride Borate
Formula	B3.65 Ba3.12 F3.05 O10.95 Sr3.88
Calculated formula	B3.648 Ba3.118 F3.072 O10.94 Sr3.882
Title of publication	New Fluoride Borate Solid‒Solution Series Ba4‒xSr3+x(BO3)4‒yF2+3y
Authors of publication	Rashchenko, S. V.; Bekker, T. B.; Bakakin, V. V.; Seryotkin, Yu. V.; Shevchenko, V. S.; Kokh, A. E.; Stonoga, S. Yu.
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	6
Pages of publication	2955
a	10.87255 ± 0.00018 Å
b	10.87255 ± 0.00018 Å
c	6.94718 ± 0.00011 Å
α	90°
β	90°
γ	120°
Cell volume	711.22 ± 0.02 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	186
Hermann-Mauguin space group symbol	P 63 m c
Hall space group symbol	P 6c -2c
Residual factor for all reflections	0.0376
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0828
Weighted residual factors for all reflections included in the refinement	0.0844
Goodness-of-fit parameter for all reflections included in the refinement	1.101
Diffraction radiation probe	x-ray
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
179599 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/63.	4506372.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506372.cif
62251	2012-07-07	cif/ Adding structures of 4506372 via cif-deposit CGI script.	4506372.cif