The material structure described by MnS2 crystallizes in the monoclinic P2_1/c space group. Mn(1) is bonded in a 5-coordinate geometry to two equivalent S(2) and three equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(2) is bonded in a distorted water-like geometry to two equivalent Mn(1) atoms. In the second S site, S(1) is bonded in a distorted trigonal planar 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   7.043
_cell_length_b   5.880
_cell_length_c   6.110
_cell_angle_alpha   65.366
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   230.007
_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  0.437  0.288  0.468  1.0
  Mn  Mn1  1  0.937  0.712  0.032  1.0
  Mn  Mn2  1  0.563  0.712  0.532  1.0
  Mn  Mn3  1  0.063  0.288  0.968  1.0
  S  S4  1  0.146  0.435  0.237  1.0
  S  S5  1  0.646  0.565  0.263  1.0
  S  S6  1  0.854  0.565  0.763  1.0
  S  S7  1  0.354  0.435  0.737  1.0
  S  S8  1  0.925  0.954  0.236  1.0
  S  S9  1  0.425  0.046  0.264  1.0
  S  S10  1  0.075  0.046  0.764  1.0
  S  S11  1  0.575  0.954  0.736  1.0
[/CIF]
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The material structure described by MnS2 crystallizes in the monoclinic P2_1/c space group. Mn(1) is bonded in a 5-coordinate geometry to two equivalent S(2) and three equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(2) is bonded in a distorted water-like geometry to two equivalent Mn(1) atoms. In the second S site, S(1) is bonded in a distorted trigonal planar 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   7.043
_cell_length_b   5.880
_cell_length_c   6.110
_cell_angle_alpha   65.366
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   230.007
_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  0.437  0.288  0.468  1.0
  Mn  Mn1  1  0.937  0.712  0.032  1.0
  Mn  Mn2  1  0.563  0.712  0.532  1.0
  Mn  Mn3  1  0.063  0.288  0.968  1.0
  S  S4  1  0.146  0.435  0.237  1.0
  S  S5  1  0.646  0.565  0.263  1.0
  S  S6  1  0.854  0.565  0.763  1.0
  S  S7  1  0.354  0.435  0.737  1.0
  S  S8  1  0.925  0.954  0.236  1.0
  S  S9  1  0.425  0.046  0.264  1.0
  S  S10  1  0.075  0.046  0.764  1.0
  S  S11  1  0.575  0.954  0.736  1.0
[/CIF]
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