Crystallography Open Database

Information card for entry 7047926

Preview

Coordinates	7047926.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B10 Ba3 Br2 O17
Calculated formula	B10 Ba3 Br2 O17
Title of publication	Ba<sub>3</sub>B<sub>10</sub>O<sub>17</sub>Br<sub>2</sub>: a new barium borate halide with B-O layered structure.
Authors of publication	Han, S. J.; Wu, H. P.; Li, H.; Yang, Z. H.; Pan, S. L.; Yu, H. H.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	46
Pages of publication	16418 - 16421
a	11.656 ± 0.01 Å
b	6.647 ± 0.006 Å
c	22.485 ± 0.019 Å
α	90°
β	102.93 ± 0.02°
γ	90°
Cell volume	1698 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0373
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0688
Weighted residual factors for all reflections included in the refinement	0.0732
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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