Crystallography Open Database

Information card for entry 7059611

Preview

Coordinates	7059611.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al2 B2 F2 O6 Sn
Calculated formula	Al2 B2 F2 O6 Sn
Title of publication	From BaAl2(BO3)2O to SnAl2(BO3)2F2: structure transformation based on ion regulation
Authors of publication	Wang, Ya; Han, Jian; Huang, Junben; Yang, Zhihua; Huang, Shuzhao; Pan, Shilie
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	23
Pages of publication	9852 - 9857
a	11.828 ± 0.005 Å
b	11.828 ± 0.005 Å
c	10.242 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	1432.9 ± 1.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	141
Hermann-Mauguin space group symbol	I 41/a m d :2
Hall space group symbol	-I 4bd 2
Residual factor for all reflections	0.0219
Residual factor for significantly intense reflections	0.0181
Weighted residual factors for significantly intense reflections	0.0421
Weighted residual factors for all reflections included in the refinement	0.0434
Goodness-of-fit parameter for all reflections included in the refinement	1.105
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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