Mo15In3Se19
hP78
(176) P63/m – i4h3f2e
In3Mo15Se19 [1]
Structural features: Mo6Se8 units (a Mo6 octahedron surrounded by a Se8 cube) and Mo9Se11 units (two
fused Mo6Se8 units) in an α-Nd type (d.h.c.p.) arrangement; In (partial disorder) between the units. Mo6
and Mo9 clusters.
Grüttner A. et al. (1979) [1]
In2.87Mo15Se19
a = 0.9804, c = 1.949 nm, c/a = 1.988, V = 1.6224 nm3, Z = 2
site
Wyck. sym.
x
y
z
occ.
atomic environment
__________________________________________________________________________________________________________________________________________________________________________
Mo1
Se2
Se3
Mo4
In5
Se6
Mo7
In8
Se9
Se10
12i
12i
12i
12i
6h
6h
6h
4f
4f
4e
1
1
1
1
m..
m..
m..
3..
3..
3..
0.1647
0.2858
0.3794
0.5035
0.0458
0.3543
0.5127
1
/3
1
/3
0
0.0142
0.3198
0.0091
0.3185
0.2127
0.3136
0.1692
2
/3
2
/3
0
0.0571
0.0509
0.1393
0.1334
1
/4
1
/4
1
/4
0.1288
0.5297
0.1617
0.29
tricapped trigonal prism Se5Mo4
4-vertex polyhedron Mo4
pentagonal pyramid Mo4In2
tricapped trigonal prism Se5Mo4
tricapped trigonal prism Se6MoIn2
octahedron Mo4In2
pseudo Frank-Kasper Se4Mo6In
monocapped trigonal prism Se7
non-coplanar triangle Mo3
trigonal prism Mo3In3
__________________________________________________________________________________________________________________________________________________________________________
Transformation from published data: y,x,-z; origin shift 0 0 1/2
Experimental: single crystal, diffractometer, X-rays, R = 0.090
Remarks: Refinements on single crystals of different compositions InxMo15Se19, 0 < x < 3, are reported in
[2] (atom coordinates not published).
References: [1] Grüttner A., Yvon K., Chevrel R., Potel M., Sergent M., Seeber B. (1979), Acta
Crystallogr. B 35, 285-292. [2] Salloum D., Gautier R., Gougeon P., Potel M. (2004), J. Solid State
Chem. 177, 1672-1680.
Landolt-Börnstein
New Series III/43A4