Crystallography Open Database

Information card for entry 4325704

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Coordinates	4325704.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B5 Ba3 Be2 H O13
Calculated formula	B4.99 Ba3 Be2.01 H O13
Title of publication	Hydrothermal Synthesis and Crystal Structures of Two Novel Acentric Mixed Alkaline Earth Metal Berylloborates Sr3Be2B5O12(OH) and Ba3Be2B5O12(OH)
Authors of publication	Colin D. McMillen; Joseph W. Kolis
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	6809 - 6813
a	10.5615 ± 0.0015 Å
b	10.5615 ± 0.0015 Å
c	8.8574 ± 0.0018 Å
α	90°
β	90°
γ	120°
Cell volume	855.6 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	160
Hermann-Mauguin space group symbol	R 3 m :H
Hall space group symbol	R 3 -2"
Residual factor for all reflections	0.0159
Residual factor for significantly intense reflections	0.0159
Weighted residual factors for significantly intense reflections	0.0387
Weighted residual factors for all reflections included in the refinement	0.0387
Goodness-of-fit parameter for all reflections included in the refinement	1.17
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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