The structure described by Mg(Mn2S3)2 crystallizes in the trigonal R-3 space group. Mg(1) is bonded to six equivalent S(1) atoms to form MgS6 octahedra that share corners with six equivalent Mn(1)S6 octahedra, edges with six equivalent Mn(2)S6 octahedra, and faces with two equivalent Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to six equivalent S(1) atoms to form MnS6 octahedra that share corners with three equivalent Mg(1)S6 octahedra, corners with nine equivalent Mn(2)S6 octahedra, edges with three equivalent Mn(1)S6 octahedra,  a faceface with one Mg(1)S6 octahedra, and  a faceface with one Mn(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the second Mn site, Mn(2) is bonded to six equivalent S(1) atoms to form MnS6 octahedra that share corners with nine equivalent Mn(1)S6 octahedra, edges with three equivalent Mg(1)S6 octahedra, edges with three equivalent Mn(2)S6 octahedra, and  a faceface with one Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. S(1) is bonded to one Mg(1), two equivalent Mn(1), and two equivalent Mn(2) atoms to form a mixture of distorted corner and edge-sharing SMgMn4 trigonal bipyramids. is represented by the CIF card [CIF]
data_Mg(Mn2S3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.129
_cell_length_b   6.130
_cell_length_c   6.783
_cell_angle_alpha   116.835
_cell_angle_beta   63.160
_cell_angle_gamma   120.003
_symmetry_Int_Tables_number   1
_cell_volume   188.361
_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  0.500  0.500  1.0
  Mn  Mn1  1  0.668  0.332  0.996  1.0
  Mn  Mn2  1  0.838  0.162  0.485  1.0
  Mn  Mn3  1  0.162  0.838  0.515  1.0
  Mn  Mn4  1  0.332  0.668  0.004  1.0
  S  S5  1  0.926  0.425  0.252  1.0
  S  S6  1  0.575  0.754  0.252  1.0
  S  S7  1  0.246  0.073  0.252  1.0
  S  S8  1  0.754  0.926  0.748  1.0
  S  S9  1  0.425  0.246  0.748  1.0
  S  S10  1  0.074  0.575  0.748  1.0
[/CIF]
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The structure described by Mg(Mn2S3)2 crystallizes in the trigonal R-3 space group. Mg(1) is bonded to six equivalent S(1) atoms to form MgS6 octahedra that share corners with six equivalent Mn(1)S6 octahedra, edges with six equivalent Mn(2)S6 octahedra, and faces with two equivalent Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to six equivalent S(1) atoms to form MnS6 octahedra that share corners with three equivalent Mg(1)S6 octahedra, corners with nine equivalent Mn(2)S6 octahedra, edges with three equivalent Mn(1)S6 octahedra,  a faceface with one Mg(1)S6 octahedra, and  a faceface with one Mn(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the second Mn site, Mn(2) is bonded to six equivalent S(1) atoms to form MnS6 octahedra that share corners with nine equivalent Mn(1)S6 octahedra, edges with three equivalent Mg(1)S6 octahedra, edges with three equivalent Mn(2)S6 octahedra, and  a faceface with one Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. S(1) is bonded to one Mg(1), two equivalent Mn(1), and two equivalent Mn(2) atoms to form a mixture of distorted corner and edge-sharing SMgMn4 trigonal bipyramids. is represented by the CIF card [CIF]
data_Mg(Mn2S3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.129
_cell_length_b   6.130
_cell_length_c   6.783
_cell_angle_alpha   116.835
_cell_angle_beta   63.160
_cell_angle_gamma   120.003
_symmetry_Int_Tables_number   1
_cell_volume   188.361
_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  0.500  0.500  1.0
  Mn  Mn1  1  0.668  0.332  0.996  1.0
  Mn  Mn2  1  0.838  0.162  0.485  1.0
  Mn  Mn3  1  0.162  0.838  0.515  1.0
  Mn  Mn4  1  0.332  0.668  0.004  1.0
  S  S5  1  0.926  0.425  0.252  1.0
  S  S6  1  0.575  0.754  0.252  1.0
  S  S7  1  0.246  0.073  0.252  1.0
  S  S8  1  0.754  0.926  0.748  1.0
  S  S9  1  0.425  0.246  0.748  1.0
  S  S10  1  0.074  0.575  0.748  1.0
[/CIF]
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