The structure described by Mg2Mn3FeS8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. Mg(1) is bonded to one S(1) and three equivalent S(2) atoms to form MgS4 tetrahedra that share corners with three equivalent Fe(1)S6 octahedra and corners with nine equivalent Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 56-61°. Mn(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form MnS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Fe(1)S6 octahedra, and edges with four equivalent Mn(1)S6 octahedra. Fe(1) is bonded to six equivalent S(2) atoms to form FeS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra and edges with six equivalent Mn(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1) and three equivalent Mn(1) atoms to form distorted corner-sharing SMgMn3 trigonal pyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Mn(1), and one Fe(1) atom. is represented by the CIF file [CIF]
data_Mg2Mn3FeS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.185
_cell_length_b   7.186
_cell_length_c   7.186
_cell_angle_alpha   59.841
_cell_angle_beta   59.849
_cell_angle_gamma   59.851
_symmetry_Int_Tables_number   1
_cell_volume   261.468
_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  0.876  0.876  0.876  1.0
  Mg  Mg1  1  0.124  0.124  0.124  1.0
  Mn  Mn2  1  0.500  0.500  1.000  1.0
  Mn  Mn3  1  0.000  0.500  0.500  1.0
  Mn  Mn4  1  0.500  1.000  0.500  1.0
  Fe  Fe5  1  0.500  0.500  0.500  1.0
  S  S6  1  0.737  0.737  0.737  1.0
  S  S7  1  0.272  0.272  0.708  1.0
  S  S8  1  0.272  0.708  0.272  1.0
  S  S9  1  0.708  0.272  0.272  1.0
  S  S10  1  0.728  0.292  0.728  1.0
  S  S11  1  0.292  0.728  0.728  1.0
  S  S12  1  0.263  0.263  0.263  1.0
  S  S13  1  0.728  0.728  0.292  1.0
[/CIF]
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The structure described by Mg2Mn3FeS8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. Mg(1) is bonded to one S(1) and three equivalent S(2) atoms to form MgS4 tetrahedra that share corners with three equivalent Fe(1)S6 octahedra and corners with nine equivalent Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 56-61°. Mn(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form MnS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Fe(1)S6 octahedra, and edges with four equivalent Mn(1)S6 octahedra. Fe(1) is bonded to six equivalent S(2) atoms to form FeS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra and edges with six equivalent Mn(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1) and three equivalent Mn(1) atoms to form distorted corner-sharing SMgMn3 trigonal pyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Mn(1), and one Fe(1) atom. is represented by the CIF file [CIF]
data_Mg2Mn3FeS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.185
_cell_length_b   7.186
_cell_length_c   7.186
_cell_angle_alpha   59.841
_cell_angle_beta   59.849
_cell_angle_gamma   59.851
_symmetry_Int_Tables_number   1
_cell_volume   261.468
_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  0.876  0.876  0.876  1.0
  Mg  Mg1  1  0.124  0.124  0.124  1.0
  Mn  Mn2  1  0.500  0.500  1.000  1.0
  Mn  Mn3  1  0.000  0.500  0.500  1.0
  Mn  Mn4  1  0.500  1.000  0.500  1.0
  Fe  Fe5  1  0.500  0.500  0.500  1.0
  S  S6  1  0.737  0.737  0.737  1.0
  S  S7  1  0.272  0.272  0.708  1.0
  S  S8  1  0.272  0.708  0.272  1.0
  S  S9  1  0.708  0.272  0.272  1.0
  S  S10  1  0.728  0.292  0.728  1.0
  S  S11  1  0.292  0.728  0.728  1.0
  S  S12  1  0.263  0.263  0.263  1.0
  S  S13  1  0.728  0.728  0.292  1.0
[/CIF]
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