Crystallography Open Database

Information card for entry 4333877

Preview

Coordinates	4333877.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Neodymium(III) Borate Iodide
Formula	B7 I Nd O15
Calculated formula	B7 I Nd O15
Title of publication	A New Family of Lanthanide Borate Halides with Unusual Coordination and a New Neodymium-Containing Cationic Framework
Authors of publication	Matthew J. Polinski; Evgeny V. Alekseev; Victoria R. Darling; Justin N. Cross; Wulf Depmeier; Thomas E. Albrecht-Schmitt
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	1965 - 1975
a	8.1464 ± 0.0011 Å
b	17.199 ± 0.002 Å
c	9.7935 ± 0.0013 Å
α	90°
β	90 ± 0.0007°
γ	90°
Cell volume	1372.2 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0628
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1291
Weighted residual factors for all reflections included in the refinement	0.1331
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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
179441 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/38.	4333877.cif
99685	2014-02-03	cif/ Adding structures of 4333877 via cif-deposit CGI script.	4333877.cif