The material described by Ga(MoSe2)4 crystallizes in the trigonal R3m space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to one Se(3), one Se(4), two equivalent Se(1), and two equivalent Se(2) atoms. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to three equivalent Se(1) and three equivalent Se(2) atoms. Ga(1) is bonded in a tetrahedral geometry to one Se(4) and three equivalent Se(1) atoms. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded to one Mo(2), two equivalent Mo(1), and one Ga(1) atom to form a mixture of distorted corner and edge-sharing SeGaMo3 tetrahedra. In the second Se site, Se(2) is bonded in a 3-coordinate geometry to one Mo(2) and two equivalent Mo(1) atoms. In the third Se site, Se(3) is bonded in a 3-coordinate geometry to three equivalent Mo(1) atoms. In the fourth Se site, Se(4) is bonded to three equivalent Mo(1) and one Ga(1) atom to form a mixture of corner and edge-sharing SeGaMo3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ga(MoSe2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.240
_cell_length_b   7.240
_cell_length_c   7.240
_cell_angle_alpha   60.820
_cell_angle_beta   60.820
_cell_angle_gamma   60.820
_symmetry_Int_Tables_number   1
_cell_volume   273.277
_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  1.000  1.000  1.000  1.0
  Mo  Mo1  1  0.196  0.601  0.601  1.0
  Mo  Mo2  1  0.601  0.601  0.196  1.0
  Mo  Mo3  1  0.594  0.594  0.594  1.0
  Mo  Mo4  1  0.601  0.196  0.601  1.0
  Se  Se5  1  0.860  0.410  0.860  1.0
  Se  Se6  1  0.360  0.360  0.907  1.0
  Se  Se7  1  0.860  0.860  0.410  1.0
  Se  Se8  1  0.410  0.860  0.860  1.0
  Se  Se9  1  0.364  0.364  0.364  1.0
  Se  Se10  1  0.860  0.860  0.860  1.0
  Se  Se11  1  0.907  0.360  0.360  1.0
  Se  Se12  1  0.360  0.907  0.360  1.0
[/CIF]
.
The material described by Ga(MoSe2)4 crystallizes in the trigonal R3m space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to one Se(3), one Se(4), two equivalent Se(1), and two equivalent Se(2) atoms. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to three equivalent Se(1) and three equivalent Se(2) atoms. Ga(1) is bonded in a tetrahedral geometry to one Se(4) and three equivalent Se(1) atoms. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded to one Mo(2), two equivalent Mo(1), and one Ga(1) atom to form a mixture of distorted corner and edge-sharing SeGaMo3 tetrahedra. In the second Se site, Se(2) is bonded in a 3-coordinate geometry to one Mo(2) and two equivalent Mo(1) atoms. In the third Se site, Se(3) is bonded in a 3-coordinate geometry to three equivalent Mo(1) atoms. In the fourth Se site, Se(4) is bonded to three equivalent Mo(1) and one Ga(1) atom to form a mixture of corner and edge-sharing SeGaMo3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ga(MoSe2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.240
_cell_length_b   7.240
_cell_length_c   7.240
_cell_angle_alpha   60.820
_cell_angle_beta   60.820
_cell_angle_gamma   60.820
_symmetry_Int_Tables_number   1
_cell_volume   273.277
_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  1.000  1.000  1.000  1.0
  Mo  Mo1  1  0.196  0.601  0.601  1.0
  Mo  Mo2  1  0.601  0.601  0.196  1.0
  Mo  Mo3  1  0.594  0.594  0.594  1.0
  Mo  Mo4  1  0.601  0.196  0.601  1.0
  Se  Se5  1  0.860  0.410  0.860  1.0
  Se  Se6  1  0.360  0.360  0.907  1.0
  Se  Se7  1  0.860  0.860  0.410  1.0
  Se  Se8  1  0.410  0.860  0.860  1.0
  Se  Se9  1  0.364  0.364  0.364  1.0
  Se  Se10  1  0.860  0.860  0.860  1.0
  Se  Se11  1  0.907  0.360  0.360  1.0
  Se  Se12  1  0.360  0.907  0.360  1.0
[/CIF]
.