The crystal structure described by Mo5Si3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Mo sites. In the first Mo site, Mo(2) is bonded in a 6-coordinate geometry to two equivalent Mo(2) and four equivalent Si(1) atoms. In the second Mo site, Mo(1) is bonded in a 6-coordinate geometry to two equivalent Si(2) and four equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to two equivalent Mo(2) and eight equivalent Mo(1) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to eight equivalent Mo(1) and two equivalent Si(2) atoms. is represented by the CIF card [CIF]
data_Si3Mo5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.897
_cell_length_b   7.247
_cell_length_c   7.247
_cell_angle_alpha   83.445
_cell_angle_beta   70.253
_cell_angle_gamma   70.253
_symmetry_Int_Tables_number   1
_cell_volume   227.829
_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  0.833  0.500  0.834  1.0
  Si  Si1  1  0.667  0.166  0.500  1.0
  Si  Si2  1  0.333  0.834  0.500  1.0
  Si  Si3  1  0.167  0.500  0.166  1.0
  Si  Si4  1  0.750  0.000  0.000  1.0
  Si  Si5  1  0.250  0.000  0.000  1.0
  Mo  Mo6  1  0.276  0.147  0.301  1.0
  Mo  Mo7  1  0.724  0.853  0.699  1.0
  Mo  Mo8  1  0.423  0.301  0.853  1.0
  Mo  Mo9  1  0.577  0.699  0.147  1.0
  Mo  Mo10  1  0.923  0.853  0.301  1.0
  Mo  Mo11  1  0.224  0.699  0.853  1.0
  Mo  Mo12  1  0.776  0.301  0.147  1.0
  Mo  Mo13  1  0.077  0.147  0.699  1.0
  Mo  Mo14  1  0.750  0.500  0.500  1.0
  Mo  Mo15  1  0.250  0.500  0.500  1.0
[/CIF]
.
The crystal structure described by Mo5Si3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Mo sites. In the first Mo site, Mo(2) is bonded in a 6-coordinate geometry to two equivalent Mo(2) and four equivalent Si(1) atoms. In the second Mo site, Mo(1) is bonded in a 6-coordinate geometry to two equivalent Si(2) and four equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to two equivalent Mo(2) and eight equivalent Mo(1) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to eight equivalent Mo(1) and two equivalent Si(2) atoms. is represented by the CIF card [CIF]
data_Si3Mo5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.897
_cell_length_b   7.247
_cell_length_c   7.247
_cell_angle_alpha   83.445
_cell_angle_beta   70.253
_cell_angle_gamma   70.253
_symmetry_Int_Tables_number   1
_cell_volume   227.829
_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  0.833  0.500  0.834  1.0
  Si  Si1  1  0.667  0.166  0.500  1.0
  Si  Si2  1  0.333  0.834  0.500  1.0
  Si  Si3  1  0.167  0.500  0.166  1.0
  Si  Si4  1  0.750  0.000  0.000  1.0
  Si  Si5  1  0.250  0.000  0.000  1.0
  Mo  Mo6  1  0.276  0.147  0.301  1.0
  Mo  Mo7  1  0.724  0.853  0.699  1.0
  Mo  Mo8  1  0.423  0.301  0.853  1.0
  Mo  Mo9  1  0.577  0.699  0.147  1.0
  Mo  Mo10  1  0.923  0.853  0.301  1.0
  Mo  Mo11  1  0.224  0.699  0.853  1.0
  Mo  Mo12  1  0.776  0.301  0.147  1.0
  Mo  Mo13  1  0.077  0.147  0.699  1.0
  Mo  Mo14  1  0.750  0.500  0.500  1.0
  Mo  Mo15  1  0.250  0.500  0.500  1.0
[/CIF]
.