Crystallography Open Database

Information card for entry 4102584

Preview

Coordinates	4102584.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B9 Be6 K3 O21
Calculated formula	B9 Be6 K3 O21
Title of publication	Alkaline Beryllium Borate NaBeB3O6 and ABe2B3O7 (A = K, Rb) as UV Nonlinear Optical Crystals
Authors of publication	Shichao Wang; Ning Ye; Wei Li; Dan Zhao
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	8779 - 8786
a	7.4766 ± 0.0013 Å
b	13.2701 ± 0.0018 Å
c	9.3263 ± 0.0017 Å
α	90°
β	111.272 ± 0.01°
γ	90°
Cell volume	862.3 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0465
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.1141
Weighted residual factors for all reflections included in the refinement	0.1195
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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
178771 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/25.	4102584.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4102584.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4102584.cif
25466	2011-09-11	../uploads/cif-deposit/cod/cif Adding structures of 4102584 via cif-deposit CGI script.	4102584.cif