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=97389 Help
TitleDetermination of deuterium site occupation in Zr4 Pd2 O D4.5.
AuthorsBrinks, H.W.; Maeland, A.J.; Hauback, B.C.; Bowman, R.C.jr.; Cantrell, J.S.
ReferenceIC&volume=361&fpage=108&details=yes target=icsd_help>Journal of Alloys Compd. (2003) 361, 108-112
Link XRef SCOPUS Google
CompoundD4.455 O1 Pd2 Zr4 - Zirconium palladium oxide deuteride (4/2/1/4.455) [] [cF183] [i f e d c a] []
Cell12.8290(9), 12.8290(9), 12.8290(9), 90, 90, 90
FD3-MZ (227) V=2111.44
RemarksR=0.053600 : N D
The coordinates given in the paper contain an error. The values in the database have been corrected.
x-coordinate of Zr1 corrected from 0.059 into -0.059

Atom (site) Oxid. x, y, z, B, Occupancy
Zr1(48f)0
Zr2(16d)0
Pd1(32e)0
O1(16c)0
D1(192i)0
D2(8a)0
-0.00.120.121.351
0.50.50.50.571
0.700.700.700.701
0.0.0.1.751
0.630.730.832.4(0.33
0.120.120.123.7(0.91

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).