Crystallography Open Database

Information card for entry 7209604

7209603 << 7209604 >> 7209605

Preview

Coordinates	7209604.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B3 Cd5 F O9
Calculated formula	B3 Cd5 F O9
Title of publication	Synthesis, structure, and characterization of a new promising nonlinear optical crystal: Cd5(BO3)3F
Authors of publication	Zou, Guohong; Zhang, Liyuan; Ye, Ning
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	13
Pages of publication	2422
a	8.057 ± 0.003 Å
b	15.966 ± 0.006 Å
c	3.447 ± 0.0016 Å
α	90°
β	100.06 ± 0.03°
γ	90°
Cell volume	436.6 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	8
Hermann-Mauguin space group symbol	C 1 m 1
Hall space group symbol	C -2y
Residual factor for all reflections	0.0359
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0736
Weighted residual factors for all reflections included in the refinement	0.0742
Goodness-of-fit parameter for all reflections included in the refinement	1.172
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
180427 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/96.	7209604.cif
86053	2013-05-09	cif/ Adding structures of 7209604 via cif-deposit CGI script.	7209604.cif