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ICSD for WWW : Details

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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.
ReferenceJournal of Alloys Compd. (2003) 361, 108-112
Link XRef SCOPUS SCIRUS 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 : NDP RVP DEF
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
-0.0590(3)0.1250.1251.35(8)1
0.50.50.50.57(9)1
0.7063(2)0.7063(2)0.7063(2)0.70(10)1
0.0.0.1.75(15)1
0.6316(4)0.7367(5)0.8399(5)2.4(2)0.333(6)
0.1250.1250.1253.7(4)0.91(2)

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