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ICSD for WWW : Details

ICSD for WWW

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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=71768 Help
TitleEffect of hydrogen absorption on the structural properties of the hyperstoichiometric alloys Zr(Mn0.72Fe0.28)2+x.
AuthorsTriantafillidis, G.;Pontonnier, L.;Fruchart, D.;Wolfers, P.;Soubeyroux, J.L.
ReferenceJournal of the Less-Common Metals (1991) 172, 183-190
Link XRef SCOPUS SCIRUS Google
CompoundD1.539 Fe0.82 Mn1.538 Zr0.642 - Zirconium manganese iron deuteride (0.6/1.5/0.8/1.5) [] [hP18] [l k h3 f a] []
Cell5.336(4), 5.336(4), 8.700(1), 90., 90., 120.
P63/MMC (194) V=214.53
RemarksR=0.036000 : DEF NDP
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.
At least one temperature factor missing in the paper.

Atom (site) Oxid. x, y, z, B, Occupancy
Zr1(4f)0
Mn1(4f)0
Mn2(2a)0
Fe1(2a)0
Mn3(6h)0
Fe2(6h)0
D1(24l)0
D2(12k)0
D3(6h)0
D4(6h)0
0.33330.66670.1369(7)00.642
0.33330.66670.1369(7)00.358
00000.923
00000.077
0.8243(2)0.6486(4)0.2500.479
0.8243(2)0.6486(4)0.2500.521
0.03440.32230.606500.167(9)
0.47170.94340.612400.056(12)
0.53290.06580.2500.233(9)
0.22270.44540.2500.0129(42)

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