The structure described by Mo3S3Br crystallizes in the trigonal R-3 space group. Mo(1) is bonded to four equivalent S(1) and one Br(1) atom to form a mixture of distorted edge and corner-sharing MoS4Br square pyramids. S(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent Mo(1) atoms. Br(1) is bonded in a 3-coordinate geometry to three equivalent Mo(1) atoms. is represented by the CIF card [CIF]
data_Mo3S3Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.564
_cell_length_b   6.564
_cell_length_c   6.564
_cell_angle_alpha   94.209
_cell_angle_beta   94.209
_cell_angle_gamma   94.208
_symmetry_Int_Tables_number   1
_cell_volume   280.431
_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
  Mo  Mo0  1  0.549  0.408  0.220  1.0
  Mo  Mo1  1  0.408  0.220  0.549  1.0
  Mo  Mo2  1  0.220  0.549  0.408  1.0
  Mo  Mo3  1  0.451  0.592  0.780  1.0
  Mo  Mo4  1  0.592  0.780  0.451  1.0
  Mo  Mo5  1  0.780  0.451  0.592  1.0
  S  S6  1  0.717  0.134  0.377  1.0
  S  S7  1  0.134  0.377  0.717  1.0
  S  S8  1  0.377  0.717  0.134  1.0
  S  S9  1  0.283  0.866  0.623  1.0
  S  S10  1  0.866  0.623  0.283  1.0
  S  S11  1  0.623  0.283  0.866  1.0
  Br  Br12  1  0.191  0.191  0.191  1.0
  Br  Br13  1  0.809  0.809  0.809  1.0
[/CIF]
.
The structure described by Mo3S3Br crystallizes in the trigonal R-3 space group. Mo(1) is bonded to four equivalent S(1) and one Br(1) atom to form a mixture of distorted edge and corner-sharing MoS4Br square pyramids. S(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent Mo(1) atoms. Br(1) is bonded in a 3-coordinate geometry to three equivalent Mo(1) atoms. is represented by the CIF card [CIF]
data_Mo3S3Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.564
_cell_length_b   6.564
_cell_length_c   6.564
_cell_angle_alpha   94.209
_cell_angle_beta   94.209
_cell_angle_gamma   94.208
_symmetry_Int_Tables_number   1
_cell_volume   280.431
_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
  Mo  Mo0  1  0.549  0.408  0.220  1.0
  Mo  Mo1  1  0.408  0.220  0.549  1.0
  Mo  Mo2  1  0.220  0.549  0.408  1.0
  Mo  Mo3  1  0.451  0.592  0.780  1.0
  Mo  Mo4  1  0.592  0.780  0.451  1.0
  Mo  Mo5  1  0.780  0.451  0.592  1.0
  S  S6  1  0.717  0.134  0.377  1.0
  S  S7  1  0.134  0.377  0.717  1.0
  S  S8  1  0.377  0.717  0.134  1.0
  S  S9  1  0.283  0.866  0.623  1.0
  S  S10  1  0.866  0.623  0.283  1.0
  S  S11  1  0.623  0.283  0.866  1.0
  Br  Br12  1  0.191  0.191  0.191  1.0
  Br  Br13  1  0.809  0.809  0.809  1.0
[/CIF]
.