Crystallography Open Database

Information card for entry 7037899

Preview

Coordinates	7037899.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba Cs2 O7 P2
Calculated formula	Ba Cs2 O7 P2
Title of publication	Three new phosphates with isolated P2O7 units: noncentrosymmetric Cs2Ba3(P2O7)2 and centrosymmetric Cs2BaP2O7 and LiCsBaP2O7.
Authors of publication	Li, Lin; Han, Shujuan; Lei, Bing-Hua; Wang, Ying; Li, Hongyi; Yang, Zhihua; Pan, Shilie
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	9
Pages of publication	3936 - 3942
a	10.758 ± 0.003 Å
b	6.182 ± 0.002 Å
c	13.867 ± 0.004 Å
α	90°
β	105.215 ± 0.003°
γ	90°
Cell volume	889.9 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0339
Residual factor for significantly intense reflections	0.0261
Weighted residual factors for significantly intense reflections	0.0691
Weighted residual factors for all reflections included in the refinement	0.0738
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
177857 (current)	2016-03-05	cif/ Updating files of 7037898, 7037899, 7037900 Original log message: Adding full bibliography for 7037898--7037900.cif.	7037899.cif
173675	2016-01-08	cif/ Adding structures of 7037898, 7037899, 7037900 via cif-deposit CGI script.	7037899.cif