Crystallography Open Database

Information card for entry 7037890

Preview

Coordinates	7037890.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba Cu0.5 O4.5 P
Calculated formula	Ba Cu0.5 O4.5 P
Title of publication	Two S = 1/2 one-dimensional barium copper phosphates showing antiferromagnetic and ferromagnetic intrachain interactions.
Authors of publication	Yang, Ming; Cui, Meiyan; Zhang, Suyun; Xiang, Hongping; Guo, Wenbin; He, Zhangzhen
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	8
Pages of publication	3319 - 3326
a	8.328 ± 0.006 Å
b	5.868 ± 0.004 Å
c	9.078 ± 0.006 Å
α	90°
β	112.571 ± 0.01°
γ	90°
Cell volume	409.7 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0232
Residual factor for significantly intense reflections	0.0206
Weighted residual factors for significantly intense reflections	0.0497
Weighted residual factors for all reflections included in the refinement	0.0612
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
177839 (current)	2016-03-05	cif/ Updating files of 7037889, 7037890 Original log message: Adding full bibliography for 7037889--7037890.cif.	7037890.cif
173643	2016-01-07	cif/ Adding structures of 7037890 via cif-deposit CGI script.	7037890.cif