Crystallography Open Database

Information card for entry 1000417

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Structure parameters

Chemical name	Sodium calcium pentafluoroaluminate fluoride - $-beta
Formula	Al Ca F6 Na
Calculated formula	Al Ca F6 Na
SMILES	[F-][Al](F)(F)(F)([F-])[F-].[Ca+2].[Na+]
Title of publication	The Na F - Ca F2 - Al F3 system: structures of $-beta- Na Ca Al F6 and Na4 Ca4 Al7 F33
Authors of publication	Hemon, A; Courbion, G
Journal of publication	Journal of Solid State Chemistry
Year of publication	1990
Journal volume	84
Pages of publication	153 - 164
a	8.9295 ± 0.0009 Å
b	8.9295 ± 0.0009 Å
c	5.0642 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	349.7 Å³
Number of distinct elements	4
Space group number	150
Hermann-Mauguin space group symbol	P 3 2 1
Hall space group symbol	P 3 2"
Residual factor for all reflections	0.032
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
130149 (current)	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	1000417.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1000417.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1000417.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	1000417.cif
19	2008-01-26	Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\r\n/\n/'	1000417.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	1000417.cif
13	2008-01-13	Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory.	1000417.cif
1	2007-11-30	Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29)	1000417.cif