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想知道Mg2Y和Y2Si的晶体结构

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Mg2Y

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*data for ICSD #104891
Coll Code 104891
Rec  Date 2004/10/01
Chem Name Magnesium Yttrium (2/1)
Structured  Mg2 Y
Sum       Mg2 Y1
ANX       NO2
D(calc)    2.97
Title    Thermodynamics of formation of yttrium-magnesium intermediate phase
Author(s) Smith, J.F.; Bailey, D.M.; Novotny, D.B.; Davison, J.E.
Reference Acta Metallurgica
         (1965), 13, 889-895
         Journal of the Less-Common Metals
         (1988), 142, 31-36
Unit Cell 6.037(1) 6.037 9.752(2) 90. 90. 120.
Vol       307.8
Z          4
Space Group P 63/m m c
SG Number 194
Cryst Sys hexagonal
Pearson    hP12
Wyckoff    h f a
Red Cell P  6.037 6.037 9.752 90 90 120 307.799
Trans Red 1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000
Comments M.p. 1053 K (incongruent)
         Same cell from 2nd ref. (Zanicchi et al.)
         The structure has been assigned a PDF number (calculated
         powder diffraction data): 01-071-9618
         The structure has been assigned a PDF number (experimental
         powder diffraction data): 65-6728
         Structure type : MgZn2
         X-ray diffraction (powder)
         No R value given in the paper.
         At least one temperature factor missing in the paper.
Atom  # OX SITE    x          y          z          SOF    H
Mg 1  +0 2 a 0          0          0             1.       0
Mg 2  +0 6 h 0.8409    0.6818    0.25          1.       0
Y 1  +0 4 f 0.3333    0.6667    0.626       1.       0
*end for ICSD #104891