The compound described by MnS2 crystallizes in the tetragonal I-42d space group. Mn(1) is bonded to four equivalent S(1) atoms to form corner-sharing MnS4 tetrahedra. S(1) is bonded in a bent 120 degrees geometry to two 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   6.123
_cell_length_b   6.123
_cell_length_c   6.123
_cell_angle_alpha   127.257
_cell_angle_beta   127.257
_cell_angle_gamma   77.831
_symmetry_Int_Tables_number   1
_cell_volume   140.967
_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  0.750  0.250  0.500  1.0
  Mn  Mn1  1  0.000  0.000  0.000  1.0
  S  S2  1  0.875  0.929  0.554  1.0
  S  S3  1  0.071  0.625  0.946  1.0
  S  S4  1  0.375  0.321  0.446  1.0
  S  S5  1  0.679  0.125  0.054  1.0
[/CIF]
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The compound described by MnS2 crystallizes in the tetragonal I-42d space group. Mn(1) is bonded to four equivalent S(1) atoms to form corner-sharing MnS4 tetrahedra. S(1) is bonded in a bent 120 degrees geometry to two 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   6.123
_cell_length_b   6.123
_cell_length_c   6.123
_cell_angle_alpha   127.257
_cell_angle_beta   127.257
_cell_angle_gamma   77.831
_symmetry_Int_Tables_number   1
_cell_volume   140.967
_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  0.750  0.250  0.500  1.0
  Mn  Mn1  1  0.000  0.000  0.000  1.0
  S  S2  1  0.875  0.929  0.554  1.0
  S  S3  1  0.071  0.625  0.946  1.0
  S  S4  1  0.375  0.321  0.446  1.0
  S  S5  1  0.679  0.125  0.054  1.0
[/CIF]
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