Crystallography Open Database

Information card for entry 4325704

Preview

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

Version history

Revision	Date	Message	Files
179360 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/57.	4325704.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325704.cif
44777	2012-03-17	../uploads/cif-deposit/cod/cif Adding structures of 4325704 via cif-deposit CGI script.	4325704.cif