The material structure described by MnS2 is trigonal omega-like structured and crystallizes in the cubic Fd-3m space group. Mn(1) is bonded to six equivalent S(1) atoms to form edge-sharing MnS6 octahedra. S(1) is bonded in a distorted T-shaped geometry to three equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.807
_cell_length_b   6.807
_cell_length_c   6.807
_cell_angle_alpha   60.001
_cell_angle_beta   60.000
_cell_angle_gamma   60.001
_symmetry_Int_Tables_number   1
_cell_volume   223.024
_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
  Mn  Mn0  1  0.625  0.625  0.125  1.0
  Mn  Mn1  1  0.625  0.125  0.625  1.0
  Mn  Mn2  1  0.125  0.625  0.625  1.0
  Mn  Mn3  1  0.625  0.625  0.625  1.0
  S  S4  1  0.869  0.869  0.869  1.0
  S  S5  1  0.856  0.381  0.381  1.0
  S  S6  1  0.381  0.381  0.856  1.0
  S  S7  1  0.381  0.856  0.381  1.0
  S  S8  1  0.381  0.381  0.381  1.0
  S  S9  1  0.394  0.869  0.869  1.0
  S  S10  1  0.869  0.394  0.869  1.0
  S  S11  1  0.869  0.869  0.394  1.0
[/CIF]
.
The material structure described by MnS2 is trigonal omega-like structured and crystallizes in the cubic Fd-3m space group. Mn(1) is bonded to six equivalent S(1) atoms to form edge-sharing MnS6 octahedra. S(1) is bonded in a distorted T-shaped geometry to three equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.807
_cell_length_b   6.807
_cell_length_c   6.807
_cell_angle_alpha   60.001
_cell_angle_beta   60.000
_cell_angle_gamma   60.001
_symmetry_Int_Tables_number   1
_cell_volume   223.024
_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
  Mn  Mn0  1  0.625  0.625  0.125  1.0
  Mn  Mn1  1  0.625  0.125  0.625  1.0
  Mn  Mn2  1  0.125  0.625  0.625  1.0
  Mn  Mn3  1  0.625  0.625  0.625  1.0
  S  S4  1  0.869  0.869  0.869  1.0
  S  S5  1  0.856  0.381  0.381  1.0
  S  S6  1  0.381  0.381  0.856  1.0
  S  S7  1  0.381  0.856  0.381  1.0
  S  S8  1  0.381  0.381  0.381  1.0
  S  S9  1  0.394  0.869  0.869  1.0
  S  S10  1  0.869  0.394  0.869  1.0
  S  S11  1  0.869  0.869  0.394  1.0
[/CIF]
.