The material structure described by Mg(Fe2S3)2 crystallizes in the trigonal R-3 space group. Mg(1) is bonded in a 8-coordinate geometry to two equivalent Fe(1) and six equivalent S(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 7-coordinate geometry to one Mg(1) and six equivalent S(1) atoms. In the second Fe site, Fe(2) is bonded to six equivalent S(1) atoms to form edge-sharing FeS6 octahedra. S(1) is bonded to one Mg(1), two equivalent Fe(1), and two equivalent Fe(2) atoms to form a mixture of distorted corner and edge-sharing SMgFe4 trigonal bipyramids. is represented by the CIF file [CIF]
data_Mg(Fe2S3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.218
_cell_length_b   6.219
_cell_length_c   6.218
_cell_angle_alpha   55.707
_cell_angle_beta   55.715
_cell_angle_gamma   55.706
_symmetry_Int_Tables_number   1
_cell_volume   153.098
_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  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.838  0.838  0.838  1.0
  Fe  Fe2  1  0.654  0.654  0.654  1.0
  Fe  Fe3  1  0.162  0.162  0.162  1.0
  Fe  Fe4  1  0.346  0.346  0.346  1.0
  S  S5  1  0.069  0.739  0.449  1.0
  S  S6  1  0.739  0.449  0.069  1.0
  S  S7  1  0.449  0.069  0.739  1.0
  S  S8  1  0.931  0.261  0.551  1.0
  S  S9  1  0.551  0.931  0.261  1.0
  S  S10  1  0.261  0.551  0.931  1.0
[/CIF]
.
The material structure described by Mg(Fe2S3)2 crystallizes in the trigonal R-3 space group. Mg(1) is bonded in a 8-coordinate geometry to two equivalent Fe(1) and six equivalent S(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 7-coordinate geometry to one Mg(1) and six equivalent S(1) atoms. In the second Fe site, Fe(2) is bonded to six equivalent S(1) atoms to form edge-sharing FeS6 octahedra. S(1) is bonded to one Mg(1), two equivalent Fe(1), and two equivalent Fe(2) atoms to form a mixture of distorted corner and edge-sharing SMgFe4 trigonal bipyramids. is represented by the CIF file [CIF]
data_Mg(Fe2S3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.218
_cell_length_b   6.219
_cell_length_c   6.218
_cell_angle_alpha   55.707
_cell_angle_beta   55.715
_cell_angle_gamma   55.706
_symmetry_Int_Tables_number   1
_cell_volume   153.098
_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  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.838  0.838  0.838  1.0
  Fe  Fe2  1  0.654  0.654  0.654  1.0
  Fe  Fe3  1  0.162  0.162  0.162  1.0
  Fe  Fe4  1  0.346  0.346  0.346  1.0
  S  S5  1  0.069  0.739  0.449  1.0
  S  S6  1  0.739  0.449  0.069  1.0
  S  S7  1  0.449  0.069  0.739  1.0
  S  S8  1  0.931  0.261  0.551  1.0
  S  S9  1  0.551  0.931  0.261  1.0
  S  S10  1  0.261  0.551  0.931  1.0
[/CIF]
.