Crystallography Open Database

Information card for entry 4333876

Preview

Coordinates	4333876.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Praseodymium(III) Borate Iodide
Formula	B7 I O15 Pr
Calculated formula	B7 I O15 Pr
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	8.1504 ± 0.0016 Å
b	17.205 ± 0.004 Å
c	9.814 ± 0.002 Å
α	90°
β	90 ± 0.0009°
γ	90°
Cell volume	1376.2 ± 0.5 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	0.0808
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.0933
Weighted residual factors for all reflections included in the refinement	0.0999
Goodness-of-fit parameter for all reflections included in the refinement	0.873
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.	4333876.cif
99684	2014-02-03	cif/ Adding structures of 4333876 via cif-deposit CGI script.	4333876.cif