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*data for   ICSD #16948
Coll Code   16948
Rec  Date   1980/01/01
Chem Name   Molybdenum Diselenide - High-pressure High-temperature Phase
            Polymorph
Structured  Mo Se2
Sum         Mo1 Se2
ANX         AX2
D(calc)     6.95
Title       Molybdenum Diselenide: Rhombohedral High Pressure - High Temperature
            Polymorph
Author(s)   Towle, L.C.;Oberbeck, V.;Brown, B.E.;Stajdohar, R.E.
Reference   Science
            (1966), 154, 895-896
Unit Cell   3.292 3.292 19.392 90. 90. 120.
Vol         182
Z           3
Space Group R 3 m H
SG Number   160
Cryst Sys   trigonal/rhombohedral
Pearson     hR3
Wyckoff     a3
Red Cell    RH 3.292 3.292 6.737 75.859 75.859 60 60.667
Trans Red   1.000 0.000 0.000 / 1.000 1.000 0.000 / 0.667 0.333 0.333
Comments    The structure has been assigned a PDF number (calculated
            powder diffraction data): 01-072-1420
            Structure type : MoS2(3R)
            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
Mo   1  +4    3 a   0.3333      0.6667      0              1.         0   
Se   1  -2    3 a   0.6667      0.3333      0.083          1.         0   
Se   2  -2    3 a   0.3333      0.6667      0.25           1.         0   
*end for    ICSD #16948
2Â¥2017-03-27 22:01:02
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