Crystallography Open Database

Information card for entry 7214380

Preview

Coordinates	7214380.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B3 Ca4.01 O10 Tb0.99
Calculated formula	B3 Ca3.954 O10 Tb1.046
Title of publication	Bulk growth, structure, and characterization of the new monoclinic TbCa4O(BO3)3 crystal
Authors of publication	Yuan, Dongsheng; Jia, Zhitai; Wang, Jian; Gao, Zeliang; Zhang, Junjie; Fu, Xiuwei; Shu, Jun; Yin, Yanru; Hu, Qiangqiang; Tao, Xutang
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	19
Pages of publication	4008
a	8.0715 ± 0.0007 Å
b	16 ± 0.0015 Å
c	3.5454 ± 0.0003 Å
α	90°
β	101.255 ± 0.001°
γ	90°
Cell volume	449.06 ± 0.07 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0327
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0838
Weighted residual factors for all reflections included in the refinement	0.0792
Goodness-of-fit parameter for all reflections included in the refinement	1.468
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
180474 (current)	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 7/21/43.	7214380.cif
109525	2014-04-16	cif/ Adding structures of 7214380 via cif-deposit CGI script.	7214380.cif