The crystal structure described by Mo4Ga(SeS)4 crystallizes in the cubic F-43m space group. Mo(1) is bonded in a 6-coordinate geometry to three equivalent Se(1) and three equivalent S(1) atoms. Ga(1) is bonded in a tetrahedral geometry to four equivalent Se(1) atoms. Se(1) is bonded to three equivalent Mo(1) and one Ga(1) atom to form a mixture of corner and edge-sharing SeGaMo3 tetrahedra. S(1) is bonded in a 3-coordinate geometry to three equivalent Mo(1) atoms. is represented by the CIF file [CIF]
data_GaMo4(SeS)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.193
_cell_length_b   7.193
_cell_length_c   7.193
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   263.148
_cell_formula_units_Z   1
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
  Ga  Ga0  1  0.000  0.000  0.000  1.0
  Mo  Mo1  1  0.401  0.401  0.796  1.0
  Mo  Mo2  1  0.401  0.796  0.401  1.0
  Mo  Mo3  1  0.796  0.401  0.401  1.0
  Mo  Mo4  1  0.401  0.401  0.401  1.0
  Se  Se5  1  0.137  0.137  0.589  1.0
  Se  Se6  1  0.137  0.589  0.137  1.0
  Se  Se7  1  0.589  0.137  0.137  1.0
  Se  Se8  1  0.137  0.137  0.137  1.0
  S  S9  1  0.630  0.630  0.111  1.0
  S  S10  1  0.630  0.111  0.630  1.0
  S  S11  1  0.111  0.630  0.630  1.0
  S  S12  1  0.630  0.630  0.630  1.0
[/CIF]
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The crystal structure described by Mo4Ga(SeS)4 crystallizes in the cubic F-43m space group. Mo(1) is bonded in a 6-coordinate geometry to three equivalent Se(1) and three equivalent S(1) atoms. Ga(1) is bonded in a tetrahedral geometry to four equivalent Se(1) atoms. Se(1) is bonded to three equivalent Mo(1) and one Ga(1) atom to form a mixture of corner and edge-sharing SeGaMo3 tetrahedra. S(1) is bonded in a 3-coordinate geometry to three equivalent Mo(1) atoms. is represented by the CIF file [CIF]
data_GaMo4(SeS)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.193
_cell_length_b   7.193
_cell_length_c   7.193
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   263.148
_cell_formula_units_Z   1
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
  Ga  Ga0  1  0.000  0.000  0.000  1.0
  Mo  Mo1  1  0.401  0.401  0.796  1.0
  Mo  Mo2  1  0.401  0.796  0.401  1.0
  Mo  Mo3  1  0.796  0.401  0.401  1.0
  Mo  Mo4  1  0.401  0.401  0.401  1.0
  Se  Se5  1  0.137  0.137  0.589  1.0
  Se  Se6  1  0.137  0.589  0.137  1.0
  Se  Se7  1  0.589  0.137  0.137  1.0
  Se  Se8  1  0.137  0.137  0.137  1.0
  S  S9  1  0.630  0.630  0.111  1.0
  S  S10  1  0.630  0.111  0.630  1.0
  S  S11  1  0.111  0.630  0.630  1.0
  S  S12  1  0.630  0.630  0.630  1.0
[/CIF]
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