Crystallography Open Database

Information card for entry 1008848

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Coordinates	1008848.cif

Structure parameters

Chemical name	Trilithium trisodium cyclo-hexaphosphate dodecahydrate
Formula	H24 Li3 Na3 O30 P6
Calculated formula	H24 Li3 Na3 O30 P6
SMILES	O.O.P1(=O)(OP(=O)(OP(=O)(OP(=O)(OP(=O)(OP(=O)(O1)[O-])[O-])[O-])[O-])[O-])[O-].[Li]([OH2])[OH2].[Na+].[Na+].O.O.O.O.[Na+].[Li]([OH2])[OH2].[Li]([OH2])[OH2]
Title of publication	On the existence of two new mixed-alkali cyclohexaphosphates Li3 Na3 P6 O18 (H2 O)12 and Li3 K3 P6 O18 (H2 O)
Authors of publication	Averbuch-Pouchot, M T
Journal of publication	Zeitschrift fuer Anorganische und Allgemeine Chemie
Year of publication	1989
Journal volume	574
Pages of publication	225 - 234
a	10.474 ± 0.008 Å
b	10.474 ± 0.008 Å
c	41.67999 ± 0.05 Å
α	90°
β	90°
γ	120°
Cell volume	3959.9 Å³
Number of distinct elements	5
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.02
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
186542 (current)	2016-09-13	cif/ Reducing the number of attached hydrogens for O atoms since the hydrogen atoms in question are explicitly described in the coordinate block.	1008848.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1008848.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1008848.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.	1008848.cif
853	2009-11-16	cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion.	1008848.cif
720	2009-05-13	cod/cif/: Adding loop_ token in front of the _publ_author_name tag in all COD entries where _publ_author_name was not in a loop (this tag is loop-mandatory).	1008848.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/'	1008848.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	1008848.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.	1008848.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)	1008848.cif