Warning: Compilation failed: nothing to repeat at offset 0 in /srv/www/htdocs/icsd/dbconfig.php on line 84 Warning: Compilation failed: nothing to repeat at offset 0 in /srv/www/htdocs/icsd/dbconfig.php on line 85 ICSD for WWW : Details ICSD for WWW Details of the selected entries 1 entry selected. CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type: ***Click the ANX, Pearson or Wyckoff Symbol to find structures with that symbol***. CC=73073 Help CIF Shel-X FullProf PowderCell Old ICSD TitleFirst principles methods for structural trends in oxides: applications to crystalline silica. AuthorsChelikowsky, J.R.;Binggeli, N.;Keskar, N.R. ReferenceJournal of Alloys Compd. (1993) 197, 137-144 Link XRef SCOPUS GoogleAlso: Physical Review, Serie 3. B - Condensed Matter (1992) 46, 1-13 Link XRef SCOPUS Google CompoundO2 Si1 - [Stishovite] Silicon oxide [AX2] [tP6] [f a] [TiO2(tP6)] Cell4.14, 4.14, 2.67, 90., 90., 90.P42/MNM (136) V=45.76 RemarksMIN =Stishovite : PDF =45-1374 : THE TYP =TiO2(tP6) : Calculated density unusual but tolerable. No R value given in the paper. At least one temperature factor missing in the paper. Measured cell: 4.1801, 2.6678 Pseudopotential calculations, in 2nd ref. also pair potentials 0.048 eV/molecule above alpha-quartz Atom (site) Oxid. x, y, z, B, Occupancy Si1(2a)4O1(4f)-2000010.3050.305001 Current PHP version: 4.3.8 - Current MySQL version: 4.0.21Demo database (The Full database will be used, if you are licensed, after the first query is entered) Copying or publishing either the ICSD data or software without written permission is illegal. The ICSD database is copyright © 2015 by Fachinformationszentrum (FIZ) Karlsruhe The PHP-mySQL WWW interface is copyright © 2003-2015 by Peter Hewat The 3D crystal structure visualisation software, xtal-3d is copyright © 1994-2015 by Marcus Hewat The PHP-JMOL drawing software is copyright © 2006-2015 by Alan Hewat Please report technical problems with ICSD for WWW to alan.hewat[a]neutronoptics.com (Alan Hewat).