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=82708 Help
TitleStructural studies of Ca F2 (at 296 K) and Ca1-x Prx F2+x , x=0.1 (at 296 and 170 K) crystals. The changes in the fluorite anionic motif in the partial substitution of Ca(2+) by Pr(3+) cations.
AuthorsZhurova, E.A.;Maximov, B.A.;Simonov, V.I.;Sobolev, B.P.
ReferenceKristallografiya (1996) 41, 438-443
Link XRef SCOPUS Google
CompoundCa0.9 F2.1 Pr0.1 - Calcium praseodymium fluoride (0.9/0.1/2.1) [AX2] [cF12] [f c a] []
Cell5.5155(4), 5.5155(4), 5.5155(4), 90., 90., 90.
FM3-M (225) V=167.79
RemarksR=0.005000 : D E T =296 : A

Atom (site) Oxid. x, y, z, B, Occupancy
Ca1(4a)2
Pr1(4a)3
F1(8c)-1
F2(32f)-1
00000.9
00000.1
0.250.250.2501
0.410.410.4100.01
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Ca1(4a)2
Pr1(4a)3
F1(8c)-1
F2(32f)-1
0.010.010.01000
0.010.010.01000
0.010.010.01000
0.020.020.020.000.000.00

Demo database


Copying or publishing either the ICSD data or software without written permission is illegal.
The ICSD database is copyright © 2018 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).