Crystallography Open Database

Information card for entry 7209847

7209846 << 7209847 >> 7209848

Preview

Coordinates	7209847.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B3 Ca4 O10 Pr
Calculated formula	B3 Ca4 O10 Pr
Title of publication	Crystal growth, structure and thermal properties of noncentrosymmetric single crystals PrCa4O(BO3)3
Authors of publication	Yu, Fapeng; Zhang, Shujun; Cheng, Xiufeng; Duan, Xiulan; Ma, Tingfeng; Zhao, Xian
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	26
Pages of publication	5226
a	8.1772 ± 0.0012 Å
b	16.157 ± 0.002 Å
c	3.6286 ± 0.0005 Å
α	90°
β	101.399 ± 0.001°
γ	90°
Cell volume	469.95 ± 0.11 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	0.0153
Residual factor for significantly intense reflections	0.0152
Weighted residual factors for significantly intense reflections	0.0305
Weighted residual factors for all reflections included in the refinement	0.0305
Goodness-of-fit parameter for all reflections included in the refinement	0.957
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7209847.cif
86864	2013-07-12	cif/ Adding structures of 7209847 via cif-deposit CGI script.	7209847.cif