Crystallography Open Database

Information card for entry 4114851

Preview

Coordinates	4114851.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B12 Co2 H4 Li2 O23
Calculated formula	B12 Co2 Li2 O23
Title of publication	Structure and Ion Exchange Properties of a New Cobalt Borate with a Tunnel Structure "Templated" by Na+
Authors of publication	Jesse L. C. Rowsell; Nicholas J. Taylor; Linda F. Nazar
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	6522 - 6523
a	17.4296 ± 0.0007 Å
b	4.5518 ± 0.0002 Å
c	19.5893 ± 0.0008 Å
α	90°
β	103.91 ± 0.001°
γ	90°
Cell volume	1508.56 ± 0.11 Å³
Cell temperature	295 ± 1 K
Ambient diffraction temperature	295 ± 1 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.049
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.0887
Weighted residual factors for all reflections included in the refinement	0.09
Goodness-of-fit parameter for all reflections included in the refinement	1.904
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4114851.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114851.cif
68215	2012-10-19	cif/ Adding structures of 4114851 via cif-deposit CGI script.	4114851.cif