Crystallography Open Database

Information card for entry 4337281

Preview

Coordinates	4337281.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B5 Be2 O11 Y
Calculated formula	B5 Be2 O11 Y
Title of publication	ReBe2B5O11 (Re = Y, Gd): Rare-Earth Beryllium Borates as Deep-Ultraviolet Nonlinear-Optical Materials.
Authors of publication	Yan, Xue; Luo, Siyang; Lin, Zheshuai; Yao, Jiyong; He, Ran; Yue, Yinchao; Chen, Chuangtian
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	4
Pages of publication	1952 - 1954
a	25.612 ± 0.005 Å
b	4.3295 ± 0.0009 Å
c	6.6549 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	737.9 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0384
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0854
Weighted residual factors for all reflections included in the refinement	0.0862
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
179475 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/72.	4337281.cif
106256	2014-03-15	cif/ Adding structures of 4337281 via cif-deposit CGI script.	4337281.cif