Crystallography Open Database

Information card for entry 4306996

Preview

Coordinates	4306996.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B4 Cu3 O11 Pb2
Calculated formula	B4 Cu3 O11 Pb2
Title of publication	Structure and Magnetic Properties of Pb2Cu3B4O11: a New Copper Borate Featuring [Cu3O8]10- Units
Authors of publication	Shilie Pan; Byron Watkins; Jared P. Smit; Michael R. Marvel; Ian Saratovsky; Kenneth R. Poeppelmeier
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	3851 - 3855
a	6.8016 ± 0.0015 Å
b	4.7123 ± 0.001 Å
c	14.614 ± 0.003 Å
α	90°
β	97.089 ± 0.003°
γ	90°
Cell volume	464.82 ± 0.17 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0386
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.094
Weighted residual factors for all reflections included in the refinement	0.0965
Goodness-of-fit parameter for all reflections included in the refinement	1.12
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4306996.html