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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=40623 Help
TitleStructural and magnetic behavour of Lu Fe2 Hx.
AuthorsPontonnier, L.;Fruchart, D.;Soubeyroux, J.L.;Triantafillidis, G.;Berthier, Y.
ReferenceJournal of the Less-Common Metals (1991) 172, 191-197
Link XRef SCOPUS SCIRUS Google
CompoundH2.8 Fe2 Lu1 - Lutetium iron hydride (1/2/3.3) [N24O48P67] [hR46] [h2 f d c b] []
Cell10.980(2), 10.980(2), 13.089(3), 90., 90., 120.
R3-MH (166) V=1366.6
RemarksR=0.065000 : DEF NDP TEM =300 :
No R value given in the paper.
At least one temperature factor is implausible or meaningless but agrees with the value given 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.
Coordinates taken from Er Fe2 H3.6, not refined
Rhombohedral setting: a=7.697, alpha=91.0, cell at 10 K: a=7.743, alpha=90.79 (values from fig. 2)

Atom (site) Oxid. x, y, z, B, Occupancy
Lu1(6c)0
Lu2(18h)0
Fe1(3b)0
Fe2(9d)0
Fe3(18f)0
Fe4(18h)0
H1(18h)0
H2(18h)0
H3(36i)0
H4(36i)0
000.410.21
0.16-.160.460.21
000.50.21
0.500.50.21
0.8000.21
0.91-.910.3330.21
0.930.070.420.21
0.770.230.3330.20.59
0.250.030.890.21
0.140.110.480.20.06

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