Crystallography Open Database

Information card for entry 7042399

Preview

Coordinates	7042399.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B Ca Cs O3
Calculated formula	B Ca Cs O3
SMILES	B([O-])([O-])[O-].[Cs+].[Ca+2]
Title of publication	ACaBO3 (A = Cs, Rb): two new cubic borates with isolated BO3 groups.
Authors of publication	Wen, Ming; Wu, Hongping; Su, Xin; Lu, Juanjuan; Yang, Zhihua; Wu, Xiaohong; Pan, Shilie
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	15
Pages of publication	4968 - 4974
a	7.572 ± 0.003 Å
b	7.572 ± 0.003 Å
c	7.572 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	434.1 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	198
Hermann-Mauguin space group symbol	P 21 3
Hall space group symbol	P 2ac 2ab 3
Residual factor for all reflections	0.0308
Residual factor for significantly intense reflections	0.0253
Weighted residual factors for significantly intense reflections	0.0438
Weighted residual factors for all reflections included in the refinement	0.0457
Goodness-of-fit parameter for all reflections included in the refinement	0.9
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
196464 (current)	2017-05-06	cif/ Updating files of 7042398, 7042399 Original log message: Adding full bibliography for 7042398--7042399.cif.	7042399.cif
194145	2017-03-10	cif/ Adding structures of 7042398, 7042399 via cif-deposit CGI script.	7042399.cif