The structure described by Mo3Si crystallizes in the cubic Pm-3n space group. Mo(1) is bonded in a 6-coordinate geometry to two equivalent Mo(1) and four equivalent Si(1) atoms. Si(1) is bonded to twelve equivalent Mo(1) atoms to form a mixture of face and edge-sharing SiMo12 cuboctahedra. is represented by the CIF card [CIF]
data_SiMo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.890
_cell_length_b   4.890
_cell_length_c   4.890
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   116.908
_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  0.500  0.500  0.500  1.0
  Si  Si1  1  0.000  0.000  0.000  1.0
  Mo  Mo2  1  0.000  0.500  0.250  1.0
  Mo  Mo3  1  0.000  0.500  0.750  1.0
  Mo  Mo4  1  0.500  0.750  0.000  1.0
  Mo  Mo5  1  0.500  0.250  0.000  1.0
  Mo  Mo6  1  0.750  0.000  0.500  1.0
  Mo  Mo7  1  0.250  0.000  0.500  1.0
[/CIF]
.
The structure described by Mo3Si crystallizes in the cubic Pm-3n space group. Mo(1) is bonded in a 6-coordinate geometry to two equivalent Mo(1) and four equivalent Si(1) atoms. Si(1) is bonded to twelve equivalent Mo(1) atoms to form a mixture of face and edge-sharing SiMo12 cuboctahedra. is represented by the CIF card [CIF]
data_SiMo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.890
_cell_length_b   4.890
_cell_length_c   4.890
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   116.908
_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  0.500  0.500  0.500  1.0
  Si  Si1  1  0.000  0.000  0.000  1.0
  Mo  Mo2  1  0.000  0.500  0.250  1.0
  Mo  Mo3  1  0.000  0.500  0.750  1.0
  Mo  Mo4  1  0.500  0.750  0.000  1.0
  Mo  Mo5  1  0.500  0.250  0.000  1.0
  Mo  Mo6  1  0.750  0.000  0.500  1.0
  Mo  Mo7  1  0.250  0.000  0.500  1.0
[/CIF]
.