The structure described by Mg(MnS2)2 crystallizes in the monoclinic P2/m space group. Mg(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form MgS6 octahedra that share corners with four equivalent Mn(2)S6 octahedra, edges with two equivalent Mg(1)S6 octahedra, edges with four equivalent Mn(1)S6 octahedra, and faces with two equivalent Mn(2)S6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form MnS6 octahedra that share corners with eight equivalent Mn(2)S6 octahedra, edges with two equivalent Mn(1)S6 octahedra, and edges with four equivalent Mg(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-48°. In the second Mn site, Mn(2) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form MnS6 octahedra that share corners with four equivalent Mg(1)S6 octahedra, corners with eight equivalent Mn(1)S6 octahedra, edges with two equivalent Mn(2)S6 octahedra, and faces with two equivalent Mg(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-49°. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Mn(1), and two equivalent Mn(2) atoms. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(2), and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg(MnS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.032
_cell_length_b   6.342
_cell_length_c   3.436
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   91.736
_symmetry_Int_Tables_number   1
_cell_volume   131.392
_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  0.500  0.000  0.000  1.0
  Mn  Mn1  1  0.500  0.500  0.500  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  S  S3  1  0.791  0.163  0.500  1.0
  S  S4  1  0.209  0.837  0.500  1.0
  S  S5  1  0.295  0.335  0.000  1.0
  S  S6  1  0.705  0.665  0.000  1.0
[/CIF]
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The structure described by Mg(MnS2)2 crystallizes in the monoclinic P2/m space group. Mg(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form MgS6 octahedra that share corners with four equivalent Mn(2)S6 octahedra, edges with two equivalent Mg(1)S6 octahedra, edges with four equivalent Mn(1)S6 octahedra, and faces with two equivalent Mn(2)S6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form MnS6 octahedra that share corners with eight equivalent Mn(2)S6 octahedra, edges with two equivalent Mn(1)S6 octahedra, and edges with four equivalent Mg(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-48°. In the second Mn site, Mn(2) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form MnS6 octahedra that share corners with four equivalent Mg(1)S6 octahedra, corners with eight equivalent Mn(1)S6 octahedra, edges with two equivalent Mn(2)S6 octahedra, and faces with two equivalent Mg(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-49°. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Mn(1), and two equivalent Mn(2) atoms. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(2), and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg(MnS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.032
_cell_length_b   6.342
_cell_length_c   3.436
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   91.736
_symmetry_Int_Tables_number   1
_cell_volume   131.392
_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  0.500  0.000  0.000  1.0
  Mn  Mn1  1  0.500  0.500  0.500  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  S  S3  1  0.791  0.163  0.500  1.0
  S  S4  1  0.209  0.837  0.500  1.0
  S  S5  1  0.295  0.335  0.000  1.0
  S  S6  1  0.705  0.665  0.000  1.0
[/CIF]
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