Crystallography Open Database

Information card for entry 7216216

Preview

Coordinates	7216216.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B3 Ca4 O10 Tm
Calculated formula	B3 Ca4.021 O10 Tm1.005
Title of publication	Bulk growth and nonlinear optical properties of thulium calcium oxyborate single crystals
Authors of publication	Liu, Yanqing; Yu, Fapeng; Wang, Zhengping; Hou, Shuai; Yang, Lei; Xu, Xinguang; Zhao, Xian
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	30
Pages of publication	7141
a	8.0679 ± 0.0009 Å
b	16.014 ± 0.0017 Å
c	3.5224 ± 0.0004 Å
α	90°
β	101.112 ± 0.001°
γ	90°
Cell volume	446.56 ± 0.09 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	0.0152
Residual factor for significantly intense reflections	0.0152
Weighted residual factors for significantly intense reflections	0.0359
Weighted residual factors for all reflections included in the refinement	0.0359
Goodness-of-fit parameter for all reflections included in the refinement	0.869
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7216216.cif
121577	2014-08-08	cif/ Updating files of 7216216 Original log message: Adding full bibliography for 7216216.cif.	7216216.cif
114945	2014-05-31	cif/ Adding structures of 7216216 via cif-deposit CGI script.	7216216.cif