The compound described by MoSi3 crystallizes in the hexagonal P6_3/mmc space group. Mo(1) is bonded to twelve equivalent Si(1) atoms to form a mixture of face and corner-sharing MoSi12 cuboctahedra. Si(1) is bonded in a 12-coordinate geometry to four equivalent Mo(1) and eight equivalent Si(1) atoms. is represented by the CIF card [CIF]
data_Si3Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.210
_cell_length_b   5.210
_cell_length_c   4.840
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   113.789
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Si  Si0  1  0.825  0.175  0.750  1.0
  Si  Si1  1  0.349  0.175  0.750  1.0
  Si  Si2  1  0.825  0.651  0.750  1.0
  Si  Si3  1  0.175  0.825  0.250  1.0
  Si  Si4  1  0.651  0.825  0.250  1.0
  Si  Si5  1  0.175  0.349  0.250  1.0
  Mo  Mo6  1  0.667  0.333  0.250  1.0
  Mo  Mo7  1  0.333  0.667  0.750  1.0
[/CIF]
.
The compound described by MoSi3 crystallizes in the hexagonal P6_3/mmc space group. Mo(1) is bonded to twelve equivalent Si(1) atoms to form a mixture of face and corner-sharing MoSi12 cuboctahedra. Si(1) is bonded in a 12-coordinate geometry to four equivalent Mo(1) and eight equivalent Si(1) atoms. is represented by the CIF card [CIF]
data_Si3Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.210
_cell_length_b   5.210
_cell_length_c   4.840
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   113.789
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Si  Si0  1  0.825  0.175  0.750  1.0
  Si  Si1  1  0.349  0.175  0.750  1.0
  Si  Si2  1  0.825  0.651  0.750  1.0
  Si  Si3  1  0.175  0.825  0.250  1.0
  Si  Si4  1  0.651  0.825  0.250  1.0
  Si  Si5  1  0.175  0.349  0.250  1.0
  Mo  Mo6  1  0.667  0.333  0.250  1.0
  Mo  Mo7  1  0.333  0.667  0.750  1.0
[/CIF]
.