The compound described by MoSi2 is Titanium Disilicide-like structured and crystallizes in the hexagonal P6_222 space group. Mo(1) is bonded in a distorted q6 geometry to ten equivalent Si(1) atoms. Si(1) is bonded in a 10-coordinate geometry to five equivalent Mo(1) and five equivalent Si(1) atoms. is represented by the CIF card [CIF]
data_Si2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.585
_cell_length_b   4.585
_cell_length_c   6.580
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   119.814
_cell_formula_units_Z   3
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  0.164  0.836  0.833  1.0
  Si  Si1  1  0.328  0.164  0.167  1.0
  Si  Si2  1  0.836  0.672  0.500  1.0
  Si  Si3  1  0.836  0.164  0.833  1.0
  Si  Si4  1  0.672  0.836  0.167  1.0
  Si  Si5  1  0.164  0.328  0.500  1.0
  Mo  Mo6  1  0.500  0.000  0.500  1.0
  Mo  Mo7  1  0.000  0.500  0.167  1.0
  Mo  Mo8  1  0.500  0.500  0.833  1.0
[/CIF]
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The compound described by MoSi2 is Titanium Disilicide-like structured and crystallizes in the hexagonal P6_222 space group. Mo(1) is bonded in a distorted q6 geometry to ten equivalent Si(1) atoms. Si(1) is bonded in a 10-coordinate geometry to five equivalent Mo(1) and five equivalent Si(1) atoms. is represented by the CIF card [CIF]
data_Si2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.585
_cell_length_b   4.585
_cell_length_c   6.580
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   119.814
_cell_formula_units_Z   3
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  0.164  0.836  0.833  1.0
  Si  Si1  1  0.328  0.164  0.167  1.0
  Si  Si2  1  0.836  0.672  0.500  1.0
  Si  Si3  1  0.836  0.164  0.833  1.0
  Si  Si4  1  0.672  0.836  0.167  1.0
  Si  Si5  1  0.164  0.328  0.500  1.0
  Mo  Mo6  1  0.500  0.000  0.500  1.0
  Mo  Mo7  1  0.000  0.500  0.167  1.0
  Mo  Mo8  1  0.500  0.500  0.833  1.0
[/CIF]
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