Crystallography Open Database

Information card for entry 7012392

Preview

Coordinates	7012392.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	As4 Cs F13
Calculated formula	As4 Cs F13
SMILES	[F-].[As](F)(F)F.[Cs+].[As](F)(F)F.[As](F)(F)F.[As](F)(F)F
Title of publication	Alkali-metal fluoroarsenates(iii) revisited; the As4F13‒ anion, the crystal structure of CsAs4F13 and Raman spectra of MAs4F13 (M = Cs, Rb)
Authors of publication	Klampfer, Peter; Benkič, Primož; Volavšek, Bogdan; Jesih, Adolf
Journal of publication	Dalton Transactions
Year of publication	2003
Journal issue	2
Pages of publication	163
a	9.568 ± 0.004 Å
b	9.568 ± 0.004 Å
c	6.726 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	615.7 ± 0.5 Å³
Cell temperature	200 ± 1 K
Ambient diffraction temperature	200 ± 1 K
Number of distinct elements	3
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for all reflections	0.0378
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0683
Weighted residual factors for all reflections included in the refinement	0.0686
Goodness-of-fit parameter for all reflections included in the refinement	0.992
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
213973 (current)	2019-03-05	cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries.	7012392.cif
179827	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/23.	7012392.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7012392.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7012392.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7012392.cif