The material described by Cs2MnS2 crystallizes in the orthorhombic Ibam space group. Cs(1) is bonded in a 5-coordinate geometry to five equivalent S(1) atoms. Mn(1) is bonded to four equivalent S(1) atoms to form distorted edge-sharing MnS4 tetrahedra. S(1) is bonded in a 2-coordinate geometry to five equivalent Cs(1) and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_Cs2MnS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.513
_cell_length_b   7.372
_cell_length_c   8.525
_cell_angle_alpha   115.624
_cell_angle_beta   112.384
_cell_angle_gamma   89.985
_symmetry_Int_Tables_number   1
_cell_volume   334.570
_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
  Cs  Cs0  1  0.149  0.489  0.299  1.0
  Cs  Cs1  1  0.851  0.511  0.701  1.0
  Cs  Cs2  1  0.351  0.190  0.701  1.0
  Cs  Cs3  1  0.649  0.810  0.299  1.0
  Mn  Mn4  1  0.250  1.000  1.000  1.0
  Mn  Mn5  1  0.750  0.000  0.000  1.0
  S  S6  1  0.906  0.081  0.811  1.0
  S  S7  1  0.094  0.919  0.189  1.0
  S  S8  1  0.594  0.269  0.189  1.0
  S  S9  1  0.406  0.731  0.811  1.0
[/CIF]
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The material described by Cs2MnS2 crystallizes in the orthorhombic Ibam space group. Cs(1) is bonded in a 5-coordinate geometry to five equivalent S(1) atoms. Mn(1) is bonded to four equivalent S(1) atoms to form distorted edge-sharing MnS4 tetrahedra. S(1) is bonded in a 2-coordinate geometry to five equivalent Cs(1) and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_Cs2MnS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.513
_cell_length_b   7.372
_cell_length_c   8.525
_cell_angle_alpha   115.624
_cell_angle_beta   112.384
_cell_angle_gamma   89.985
_symmetry_Int_Tables_number   1
_cell_volume   334.570
_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
  Cs  Cs0  1  0.149  0.489  0.299  1.0
  Cs  Cs1  1  0.851  0.511  0.701  1.0
  Cs  Cs2  1  0.351  0.190  0.701  1.0
  Cs  Cs3  1  0.649  0.810  0.299  1.0
  Mn  Mn4  1  0.250  1.000  1.000  1.0
  Mn  Mn5  1  0.750  0.000  0.000  1.0
  S  S6  1  0.906  0.081  0.811  1.0
  S  S7  1  0.094  0.919  0.189  1.0
  S  S8  1  0.594  0.269  0.189  1.0
  S  S9  1  0.406  0.731  0.811  1.0
[/CIF]
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