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=97268 Help CIF Shel-X FullProf PowderCell Old ICSD TitlePressure-induced phase transformation of kalicinite (K H C O3) at 2.8 GPa and local structural changes around hydrogen atoms. AuthorsKagi, H.; Nagai, T.; Loveday, J.S.; Wada, C.; Parise, J.B. ReferenceAmerican Mineralogist (2003) 88, 1446-1451 Link XRef SCOPUS Google CompoundC1 D1 K1 O3 - [Kalicinite] Potassium deuteriumcarbonate [ABX3] [mP24] [e6]  Cell15.192(1), 5.6290(2), 3.7067(1), 90, 104.538(3), 90P121/A1 (14) V=306.83 RemarksMIN =Kalicinite : NDP RVP At least one temperature factor missing in the paper. The coordinates are those given in the paper but the atomic distances do not agree with those calculated during testing.The coordinates are probably correct. No R value given in the paper. Atom (site) Oxid. x, y, z, B, Occupancy K1(4e)1C1(4e)4D1(4e)1O1(4e)-2O2(4e)-2O3(4e)-20.1650(4)0.031(1)0.300(2)010.120(2)0.521(1)0.857(1)010.017(1)0.695(1)0.556(2)010.1944(2)0.535(1)0.090(1)010.0794(3)0.720(1)0.731(1)01.0000.0849(3)0.327(1)0.727(1)01 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).