Crystallography Open Database

Information card for entry 4333872

Preview

Coordinates	4333872.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Neodymium(III) Borate Bromide
Formula	B12 Br2 Nd2 O27.5
Calculated formula	B12 Br2 Nd2 O27.5
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	30.6651 ± 0.0007 Å
b	19.7956 ± 0.0004 Å
c	16.0737 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	9757.3 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0544
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.1205
Weighted residual factors for all reflections included in the refinement	0.1246
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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.	4333872.cif
99680	2014-02-03	cif/ Adding structures of 4333872 via cif-deposit CGI script.	4333872.cif