Crystallography Open Database

Information card for entry 1001857

Preview

Coordinates	1001857.cif
External links	AMCSD

Structure parameters

Chemical name	Potassium titanium disilicohexaphosphate (1/3/1)
Formula	K O25 P6 Si2 Ti3
Calculated formula	K O25 P6 Si2 Ti3
Title of publication	Structure of mixed-valent titanium silicophosphates, K Ti3 P6 Si2 O25 and Cs Ti3 P6 Si2 O25
Authors of publication	Benmoussa, A; Borel, M M; Grandin, A; Leclaire, A; Raveau, B
Journal of publication	Acta Crystallographica C (39,1983-)
Year of publication	1991
Journal volume	47
Pages of publication	936 - 938
a	8.2648 ± 0.0009 Å
b	8.2648 ± 0.0009 Å
c	17.03799 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	1007.9 Å³
Number of distinct elements	5
Space group number	163
Hermann-Mauguin space group symbol	P -3 1 c
Hall space group symbol	-P 3 2c
Residual factor for all reflections	0.036
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.	1001857.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1001857.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.	1001857.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/'	1001857.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	1001857.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.	1001857.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)	1001857.cif