Crystallography Open Database

Information card for entry 4331657

Preview

Coordinates	4331657.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	F13 Hf2 Na5
Calculated formula	F13 Hf2 Na5
SMILES	F[Hf](F)(F)([F][Hf](F)(F)(F)(F)(F)F)(F)(F)F.[Na+].[Na+].[Na+].[Na+].[Na+]
Title of publication	Hydrothermal Chemistry, Structures, and Luminescence Studies of Alkali Hafnium Fluorides
Authors of publication	Christopher C. Underwood; Colin D. McMillen; Hongyu Chen; Jeffery N. Anker; Joseph W. Kolis
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	237 - 244
a	11.627 ± 0.002 Å
b	5.5159 ± 0.0011 Å
c	8.4317 ± 0.0017 Å
α	90°
β	97.46 ± 0.03°
γ	90°
Cell volume	536.18 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0184
Residual factor for significantly intense reflections	0.0181
Weighted residual factors for significantly intense reflections	0.0449
Weighted residual factors for all reflections included in the refinement	0.0451
Goodness-of-fit parameter for all reflections included in the refinement	1.164
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
179419 (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 4/33/16.	4331657.cif
97780	2014-01-29	cif/ Adding structures of 4331657 via cif-deposit CGI script.	4331657.cif