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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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CC=88177 Help
TitleNeutron diffraction studies of Zr-containing intermetallic hydrides with ordered hydrogen sublattice. III.Orthorhombic Zr3 Fe Dx (x=1.3, 2.5 and 5.0) with partially filled (Re3 B)-type structure.
AuthorsYartys', V.A.;Fjellvag, H.;Hauback, B.C.;Riabov, A.B.;Sorby, M.H.
ReferenceJournal of Alloys Compd. (1999) 287, 189-194
Link XRef SCOPUS SCIRUS Google
CompoundD2 Fe1 Zr3 - Zirconium iron deuteride (3/1/2) [NO2P3] [oS24] [f3 c2] []
Cell3.361(1), 11.211(3), 9.092(3), 90., 90., 90.
CMCM (63) V=342.59
RemarksDEF 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
Zr1(4c)0
Zr2(8f)0
Fe1(4c)0
D1(8f)0
D2(8f)0
00.447(2)0.2501
00.155(1)0.052(1)01
00.753(3)0.2501
00.298(7)0.154(7)00.3
00.956(3)0.143(3)00.7

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