The material described by Al(MoS2)4 crystallizes in the cubic F-43m space group. Mo(1) is bonded in a 6-coordinate geometry to three equivalent S(1) and three equivalent S(2) atoms. Al(1) is bonded in a tetrahedral geometry to four equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Mo(1) and one Al(1) atom to form a mixture of distorted corner and edge-sharing SAlMo3 tetrahedra. In the second S site, S(2) is bonded in a 3-coordinate geometry to three equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al(MoS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.939
_cell_length_b   6.939
_cell_length_c   6.939
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   236.202
_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
  Al  Al0  1  0.000  0.000  0.000  1.0
  Mo  Mo1  1  0.398  0.398  0.398  1.0
  Mo  Mo2  1  0.398  0.398  0.807  1.0
  Mo  Mo3  1  0.807  0.398  0.398  1.0
  Mo  Mo4  1  0.398  0.807  0.398  1.0
  S  S5  1  0.135  0.135  0.135  1.0
  S  S6  1  0.135  0.135  0.596  1.0
  S  S7  1  0.596  0.135  0.135  1.0
  S  S8  1  0.633  0.100  0.633  1.0
  S  S9  1  0.100  0.633  0.633  1.0
  S  S10  1  0.633  0.633  0.100  1.0
  S  S11  1  0.633  0.633  0.633  1.0
  S  S12  1  0.135  0.596  0.135  1.0
[/CIF]
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The material described by Al(MoS2)4 crystallizes in the cubic F-43m space group. Mo(1) is bonded in a 6-coordinate geometry to three equivalent S(1) and three equivalent S(2) atoms. Al(1) is bonded in a tetrahedral geometry to four equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Mo(1) and one Al(1) atom to form a mixture of distorted corner and edge-sharing SAlMo3 tetrahedra. In the second S site, S(2) is bonded in a 3-coordinate geometry to three equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al(MoS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.939
_cell_length_b   6.939
_cell_length_c   6.939
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   236.202
_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
  Al  Al0  1  0.000  0.000  0.000  1.0
  Mo  Mo1  1  0.398  0.398  0.398  1.0
  Mo  Mo2  1  0.398  0.398  0.807  1.0
  Mo  Mo3  1  0.807  0.398  0.398  1.0
  Mo  Mo4  1  0.398  0.807  0.398  1.0
  S  S5  1  0.135  0.135  0.135  1.0
  S  S6  1  0.135  0.135  0.596  1.0
  S  S7  1  0.596  0.135  0.135  1.0
  S  S8  1  0.633  0.100  0.633  1.0
  S  S9  1  0.100  0.633  0.633  1.0
  S  S10  1  0.633  0.633  0.100  1.0
  S  S11  1  0.633  0.633  0.633  1.0
  S  S12  1  0.135  0.596  0.135  1.0
[/CIF]
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