The material described by Mn2S3 is Corundum structured and crystallizes in the trigonal R-3c space group. Mn(1) is bonded to six equivalent S(1) atoms to form a mixture of edge, corner, and face-sharing MnS6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. S(1) is bonded to four equivalent Mn(1) atoms to form a mixture of distorted edge and corner-sharing SMn4 trigonal pyramids. is represented by the CIF card [CIF]
data_Mn2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.566
_cell_length_b   6.566
_cell_length_c   6.566
_cell_angle_alpha   55.729
_cell_angle_beta   55.729
_cell_angle_gamma   55.729
_symmetry_Int_Tables_number   1
_cell_volume   180.370
_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  0.845  0.845  0.845  1.0
  Mn  Mn1  1  0.655  0.655  0.655  1.0
  Mn  Mn2  1  0.345  0.345  0.345  1.0
  Mn  Mn3  1  0.155  0.155  0.155  1.0
  S  S4  1  0.250  0.561  0.939  1.0
  S  S5  1  0.561  0.939  0.250  1.0
  S  S6  1  0.939  0.250  0.561  1.0
  S  S7  1  0.061  0.750  0.439  1.0
  S  S8  1  0.439  0.061  0.750  1.0
  S  S9  1  0.750  0.439  0.061  1.0
[/CIF]
.
The material described by Mn2S3 is Corundum structured and crystallizes in the trigonal R-3c space group. Mn(1) is bonded to six equivalent S(1) atoms to form a mixture of edge, corner, and face-sharing MnS6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. S(1) is bonded to four equivalent Mn(1) atoms to form a mixture of distorted edge and corner-sharing SMn4 trigonal pyramids. is represented by the CIF card [CIF]
data_Mn2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.566
_cell_length_b   6.566
_cell_length_c   6.566
_cell_angle_alpha   55.729
_cell_angle_beta   55.729
_cell_angle_gamma   55.729
_symmetry_Int_Tables_number   1
_cell_volume   180.370
_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  0.845  0.845  0.845  1.0
  Mn  Mn1  1  0.655  0.655  0.655  1.0
  Mn  Mn2  1  0.345  0.345  0.345  1.0
  Mn  Mn3  1  0.155  0.155  0.155  1.0
  S  S4  1  0.250  0.561  0.939  1.0
  S  S5  1  0.561  0.939  0.250  1.0
  S  S6  1  0.939  0.250  0.561  1.0
  S  S7  1  0.061  0.750  0.439  1.0
  S  S8  1  0.439  0.061  0.750  1.0
  S  S9  1  0.750  0.439  0.061  1.0
[/CIF]
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