Crystallography Open Database

Information card for entry 4114850

Preview

Coordinates	4114850.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B12 Co2 Na2 O21
Calculated formula	B12 Co2 Na2 O21
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	17.1447 ± 0.0015 Å
b	4.553 ± 0.0005 Å
c	19.4408 ± 0.0015 Å
α	90°
β	103.212 ± 0.005°
γ	90°
Cell volume	1477.4 ± 0.2 Å³
Cell temperature	295 ± 1 K
Ambient diffraction temperature	295 ± 1 K
Number of distinct elements	4
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	0.0399
Residual factor for significantly intense reflections	0.0265
Weighted residual factors for significantly intense reflections	0.0503
Weighted residual factors for all reflections included in the refinement	0.0515
Goodness-of-fit parameter for all reflections included in the refinement	1.223
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
178919 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/48.	4114850.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114850.cif
68214	2012-10-19	cif/ Adding structures of 4114850 via cif-deposit CGI script.	4114850.cif