The material structure described by MnS2 is Marcasite structured and crystallizes in the orthorhombic Pnnm space group. Mn(1) is bonded to six equivalent S(1) atoms to form a mixture of edge and corner-sharing MnS6 octahedra. The corner-sharing octahedral tilt angles are 57°. S(1) is bonded in a 3-coordinate geometry to three equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_MnS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.258
_cell_length_b   4.682
_cell_length_c   5.553
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   84.697
_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
  Mn  Mn0  1  0.500  0.500  0.500  1.0
  Mn  Mn1  1  0.000  0.000  0.000  1.0
  S  S2  1  0.500  0.698  0.132  1.0
  S  S3  1  0.500  0.302  0.868  1.0
  S  S4  1  0.000  0.198  0.368  1.0
  S  S5  1  0.000  0.802  0.632  1.0
[/CIF]
.
The material structure described by MnS2 is Marcasite structured and crystallizes in the orthorhombic Pnnm space group. Mn(1) is bonded to six equivalent S(1) atoms to form a mixture of edge and corner-sharing MnS6 octahedra. The corner-sharing octahedral tilt angles are 57°. S(1) is bonded in a 3-coordinate geometry to three equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_MnS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.258
_cell_length_b   4.682
_cell_length_c   5.553
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   84.697
_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
  Mn  Mn0  1  0.500  0.500  0.500  1.0
  Mn  Mn1  1  0.000  0.000  0.000  1.0
  S  S2  1  0.500  0.698  0.132  1.0
  S  S3  1  0.500  0.302  0.868  1.0
  S  S4  1  0.000  0.198  0.368  1.0
  S  S5  1  0.000  0.802  0.632  1.0
[/CIF]
.