The structure described by MgMnS2 is Caswellsilverite-like structured and crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 6-coordinate geometry to three equivalent S(1) and three equivalent S(2) atoms. Mn(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form edge-sharing MnS6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Mg(1) and three equivalent Mn(1) atoms to form a mixture of edge, corner, and face-sharing SMg3Mn3 octahedra. In the second S site, S(2) is bonded to three equivalent Mg(1) and three equivalent Mn(1) atoms to form a mixture of distorted edge, corner, and face-sharing SMg3Mn3 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 0-47°. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMnS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.642
_cell_length_b   6.636
_cell_length_c   6.642
_cell_angle_alpha   31.770
_cell_angle_beta   31.763
_cell_angle_gamma   31.770
_symmetry_Int_Tables_number   1
_cell_volume   72.082
_cell_formula_units_Z   1
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
  Mg  Mg0  1  0.170  0.163  0.170  1.0
  Mn  Mn1  1  1.000  0.999  1.000  1.0
  S  S2  1  0.587  0.586  0.587  1.0
  S  S3  1  0.413  0.412  0.413  1.0
[/CIF]
.
The structure described by MgMnS2 is Caswellsilverite-like structured and crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 6-coordinate geometry to three equivalent S(1) and three equivalent S(2) atoms. Mn(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form edge-sharing MnS6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Mg(1) and three equivalent Mn(1) atoms to form a mixture of edge, corner, and face-sharing SMg3Mn3 octahedra. In the second S site, S(2) is bonded to three equivalent Mg(1) and three equivalent Mn(1) atoms to form a mixture of distorted edge, corner, and face-sharing SMg3Mn3 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 0-47°. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMnS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.642
_cell_length_b   6.636
_cell_length_c   6.642
_cell_angle_alpha   31.770
_cell_angle_beta   31.763
_cell_angle_gamma   31.770
_symmetry_Int_Tables_number   1
_cell_volume   72.082
_cell_formula_units_Z   1
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
  Mg  Mg0  1  0.170  0.163  0.170  1.0
  Mn  Mn1  1  1.000  0.999  1.000  1.0
  S  S2  1  0.587  0.586  0.587  1.0
  S  S3  1  0.413  0.412  0.413  1.0
[/CIF]
.