Crystallography Open Database

Information card for entry 4118153

Preview

Coordinates	4118153.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Yttrium(III) Borate Chloride
Formula	B6 O12 Y
Calculated formula	B6 O12 Y
Title of publication	Differentiating between Trivalent Lanthanides and Actinides
Authors of publication	Matthew J. Polinski; Daniel J. Grant; Shuao Wang; Evgeny V. Alekseev; Justin N. Cross; Eric M. Villa; Wulf Depmeier; Laura Gagliardi; Thomas E. Albrecht-Schmitt
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	10682 - 10692
a	8.346 ± 0.019 Å
b	8.346 ± 0.019 Å
c	20.58 ± 0.08 Å
α	90°
β	90°
γ	120°
Cell volume	1241 ± 6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.0311
Residual factor for significantly intense reflections	0.0273
Weighted residual factors for significantly intense reflections	0.0626
Weighted residual factors for all reflections included in the refinement	0.0654
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
178952 (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 4/11/81.	4118153.cif
75674	2013-03-12	cif/ Adding structures of 4118153 via cif-deposit CGI script.	4118153.cif