The material described by Mo5Si3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Mo sites. In the first Mo site, Mo(2) is bonded in a 5-coordinate geometry to five equivalent Si(1) atoms. In the second Mo site, Mo(1) is bonded in a 8-coordinate geometry to two equivalent Mo(1) and six equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to four equivalent Mo(1) and five equivalent Mo(2) atoms. is represented by the CIF file [CIF]
data_Si3Mo5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.068
_cell_length_b   7.320
_cell_length_c   7.320
_cell_angle_alpha   119.999
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   235.152
_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  0.750  0.607  0.000  1.0
  Si  Si1  1  0.750  0.393  0.393  1.0
  Si  Si2  1  0.750  1.000  0.607  1.0
  Si  Si3  1  0.250  0.393  0.000  1.0
  Si  Si4  1  0.250  0.607  0.607  1.0
  Si  Si5  1  0.250  0.000  0.393  1.0
  Mo  Mo6  1  0.500  0.333  0.667  1.0
  Mo  Mo7  1  0.500  0.667  0.333  1.0
  Mo  Mo8  1  0.000  0.667  0.333  1.0
  Mo  Mo9  1  0.000  0.333  0.667  1.0
  Mo  Mo10  1  0.750  0.240  0.000  1.0
  Mo  Mo11  1  0.750  0.760  0.760  1.0
  Mo  Mo12  1  0.750  0.000  0.240  1.0
  Mo  Mo13  1  0.250  0.760  0.000  1.0
  Mo  Mo14  1  0.250  0.240  0.240  1.0
  Mo  Mo15  1  0.250  1.000  0.760  1.0
[/CIF]
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The material described by Mo5Si3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Mo sites. In the first Mo site, Mo(2) is bonded in a 5-coordinate geometry to five equivalent Si(1) atoms. In the second Mo site, Mo(1) is bonded in a 8-coordinate geometry to two equivalent Mo(1) and six equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to four equivalent Mo(1) and five equivalent Mo(2) atoms. is represented by the CIF file [CIF]
data_Si3Mo5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.068
_cell_length_b   7.320
_cell_length_c   7.320
_cell_angle_alpha   119.999
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   235.152
_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  0.750  0.607  0.000  1.0
  Si  Si1  1  0.750  0.393  0.393  1.0
  Si  Si2  1  0.750  1.000  0.607  1.0
  Si  Si3  1  0.250  0.393  0.000  1.0
  Si  Si4  1  0.250  0.607  0.607  1.0
  Si  Si5  1  0.250  0.000  0.393  1.0
  Mo  Mo6  1  0.500  0.333  0.667  1.0
  Mo  Mo7  1  0.500  0.667  0.333  1.0
  Mo  Mo8  1  0.000  0.667  0.333  1.0
  Mo  Mo9  1  0.000  0.333  0.667  1.0
  Mo  Mo10  1  0.750  0.240  0.000  1.0
  Mo  Mo11  1  0.750  0.760  0.760  1.0
  Mo  Mo12  1  0.750  0.000  0.240  1.0
  Mo  Mo13  1  0.250  0.760  0.000  1.0
  Mo  Mo14  1  0.250  0.240  0.240  1.0
  Mo  Mo15  1  0.250  1.000  0.760  1.0
[/CIF]
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