Crystallography Open Database

Information card for entry 1000209

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Coordinates	1000209.cif
External links	AMCSD

Structure parameters

Chemical name	Trisodium trilithium dititanium dodecafluoride
Formula	F12 Li3 Na3 Ti2
Calculated formula	F12 Li3 Na3 Ti2
SMILES	[Li+].[Na+].[F-][Ti](F)(F)(F)([F-])[F-].[F-][Ti](F)(F)(F)([F-])[F-].[Na+].[Li+].[Na+].[Li+]
Title of publication	Les grenats fluores des elements de transition Na~3~ Li~3~ M~2~ F~12~
Authors of publication	de Pape, R; Portier, J; Gauthier, G; Hagenmuller, P
Journal of publication	Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-)
Year of publication	1967
Journal volume	265
Pages of publication	1244 - 1246
a	12.498 ± 0.003 Å
b	12.498 ± 0.003 Å
c	12.498 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1952.2 Å³
Number of distinct elements	4
Space group number	230
Hermann-Mauguin space group symbol	I a -3 d
Hall space group symbol	-I 4bd 2c 3
Residual factor for all reflections	0.072
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.	1000209.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1000209.cif
1063	2010-03-31	cif/ Fixing all author names that had '=' instead of ' ' (space sign): grep '^[0-9]' author-names-with-=.lst\| awk '{print "../"substr($1,0,1)"/"$1".cif"}'\| xargs -i sh -xc " perl -i -pe 's/=/ /g if /_publ_author_name/.../^_/' {}" and restoring journal names manualy afterwards.	1000209.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.	1000209.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/'	1000209.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	1000209.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.	1000209.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)	1000209.cif