The compound described by MoSBr 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 Br(1) atoms. S(1) is bonded in a 3-coordinate geometry to three equivalent Mo(1) atoms. Br(1) is bonded in a trigonal non-coplanar geometry to three equivalent Mo(1) atoms. is represented by the CIF card [CIF]
data_MoSBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.093
_cell_length_b   7.093
_cell_length_c   7.093
_cell_angle_alpha   60.000
_cell_angle_beta   59.999
_cell_angle_gamma   60.001
_symmetry_Int_Tables_number   1
_cell_volume   252.318
_cell_formula_units_Z   4
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  0.543  0.152  0.152  1.0
  Mo  Mo1  1  0.152  0.543  0.152  1.0
  Mo  Mo2  1  0.152  0.152  0.152  1.0
  Mo  Mo3  1  0.152  0.152  0.543  1.0
  S  S4  1  0.381  0.381  0.381  1.0
  S  S5  1  0.857  0.381  0.381  1.0
  S  S6  1  0.381  0.381  0.857  1.0
  S  S7  1  0.381  0.857  0.381  1.0
  Br  Br8  1  0.365  0.878  0.878  1.0
  Br  Br9  1  0.878  0.878  0.878  1.0
  Br  Br10  1  0.878  0.365  0.878  1.0
  Br  Br11  1  0.878  0.878  0.365  1.0
[/CIF]
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The compound described by MoSBr 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 Br(1) atoms. S(1) is bonded in a 3-coordinate geometry to three equivalent Mo(1) atoms. Br(1) is bonded in a trigonal non-coplanar geometry to three equivalent Mo(1) atoms. is represented by the CIF card [CIF]
data_MoSBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.093
_cell_length_b   7.093
_cell_length_c   7.093
_cell_angle_alpha   60.000
_cell_angle_beta   59.999
_cell_angle_gamma   60.001
_symmetry_Int_Tables_number   1
_cell_volume   252.318
_cell_formula_units_Z   4
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  0.543  0.152  0.152  1.0
  Mo  Mo1  1  0.152  0.543  0.152  1.0
  Mo  Mo2  1  0.152  0.152  0.152  1.0
  Mo  Mo3  1  0.152  0.152  0.543  1.0
  S  S4  1  0.381  0.381  0.381  1.0
  S  S5  1  0.857  0.381  0.381  1.0
  S  S6  1  0.381  0.381  0.857  1.0
  S  S7  1  0.381  0.857  0.381  1.0
  Br  Br8  1  0.365  0.878  0.878  1.0
  Br  Br9  1  0.878  0.878  0.878  1.0
  Br  Br10  1  0.878  0.365  0.878  1.0
  Br  Br11  1  0.878  0.878  0.365  1.0
[/CIF]
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