Crystallography Open Database

Information card for entry 7214428

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Structure parameters

Formula	B3 Be4 K O9
Calculated formula	B3 Be4 K O9
SMILES	B([O-])([O-])[O-].[O-]B([O-])[O-].[Be+2].[K+].[Be+2].B([O-])([O-])[O-].[Be+2].[Be+2]
Title of publication	A new alkaline beryllium borate KBe4B3O9 with ribbon alveolate [Be2BO5]∞ layers and the structural evolution of ABe4B3O9(A = K, Rb and Cs)
Authors of publication	Wang, Shichao; Ye, Ning; Zou, Guohong
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	19
Pages of publication	3971
a	6.065 ± 0.003 Å
b	4.463 ± 0.002 Å
c	11.55 ± 0.006 Å
α	90°
β	90.081 ± 0.006°
γ	90°
Cell volume	312.6 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.02
Residual factor for significantly intense reflections	0.0194
Weighted residual factors for significantly intense reflections	0.0544
Weighted residual factors for all reflections included in the refinement	0.0548
Goodness-of-fit parameter for all reflections included in the refinement	1.131
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
301864 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure.	7214428.cif
180475	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/44.	7214428.cif
109534	2014-04-16	cif/ Adding structures of 7214428 via cif-deposit CGI script.	7214428.cif