The structure described by Re2Fe(MoS4)2 crystallizes in the orthorhombic Imm2 space group. Mo(1) is bonded in a 6-coordinate geometry to one S(1), one S(3), two equivalent S(2), and two equivalent S(4) atoms. Re(1) is bonded in a 6-coordinate geometry to one S(2), one S(4), two equivalent S(1), and two equivalent S(3) atoms. Fe(1) is bonded in a tetrahedral geometry to two equivalent S(3) and two equivalent S(4) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to one Mo(1) and two equivalent Re(1) atoms. In the second S site, S(2) is bonded in a 3-coordinate geometry to two equivalent Mo(1) and one Re(1) atom. In the third S site, S(3) is bonded to one Mo(1), two equivalent Re(1), and one Fe(1) atom to form SFeRe2Mo tetrahedra that share  a cornercorner with one S(3)FeRe2Mo tetrahedra, corners with two equivalent S(4)FeReMo2 tetrahedra,  an edgeedge with one S(3)FeRe2Mo tetrahedra, and edges with two equivalent S(4)FeReMo2 tetrahedra. In the fourth S site, S(4) is bonded to two equivalent Mo(1), one Re(1), and one Fe(1) atom to form distorted SFeReMo2 tetrahedra that share  a cornercorner with one S(4)FeReMo2 tetrahedra, corners with two equivalent S(3)FeRe2Mo tetrahedra,  an edgeedge with one S(4)FeReMo2 tetrahedra, and edges with two equivalent S(3)FeRe2Mo tetrahedra. is represented by the CIF file [CIF]
data_FeRe2(MoS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.861
_cell_length_b   6.861
_cell_length_c   6.861
_cell_angle_alpha   120.153
_cell_angle_beta   119.517
_cell_angle_gamma   90.287
_symmetry_Int_Tables_number   1
_cell_volume   228.964
_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
  Fe  Fe0  1  0.000  0.000  0.000  1.0
  Re  Re1  1  0.395  0.602  0.206  1.0
  Re  Re2  1  0.395  0.189  0.794  1.0
  Mo  Mo3  1  0.398  0.603  0.796  1.0
  Mo  Mo4  1  0.807  0.603  0.204  1.0
  S  S5  1  0.630  0.364  0.266  1.0
  S  S6  1  0.098  0.364  0.734  1.0
  S  S7  1  0.633  0.364  0.730  1.0
  S  S8  1  0.633  0.903  0.270  1.0
  S  S9  1  0.142  0.866  0.276  1.0
  S  S10  1  0.591  0.866  0.724  1.0
  S  S11  1  0.138  0.869  0.732  1.0
  S  S12  1  0.138  0.406  0.268  1.0
[/CIF]
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The structure described by Re2Fe(MoS4)2 crystallizes in the orthorhombic Imm2 space group. Mo(1) is bonded in a 6-coordinate geometry to one S(1), one S(3), two equivalent S(2), and two equivalent S(4) atoms. Re(1) is bonded in a 6-coordinate geometry to one S(2), one S(4), two equivalent S(1), and two equivalent S(3) atoms. Fe(1) is bonded in a tetrahedral geometry to two equivalent S(3) and two equivalent S(4) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to one Mo(1) and two equivalent Re(1) atoms. In the second S site, S(2) is bonded in a 3-coordinate geometry to two equivalent Mo(1) and one Re(1) atom. In the third S site, S(3) is bonded to one Mo(1), two equivalent Re(1), and one Fe(1) atom to form SFeRe2Mo tetrahedra that share  a cornercorner with one S(3)FeRe2Mo tetrahedra, corners with two equivalent S(4)FeReMo2 tetrahedra,  an edgeedge with one S(3)FeRe2Mo tetrahedra, and edges with two equivalent S(4)FeReMo2 tetrahedra. In the fourth S site, S(4) is bonded to two equivalent Mo(1), one Re(1), and one Fe(1) atom to form distorted SFeReMo2 tetrahedra that share  a cornercorner with one S(4)FeReMo2 tetrahedra, corners with two equivalent S(3)FeRe2Mo tetrahedra,  an edgeedge with one S(4)FeReMo2 tetrahedra, and edges with two equivalent S(3)FeRe2Mo tetrahedra. is represented by the CIF file [CIF]
data_FeRe2(MoS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.861
_cell_length_b   6.861
_cell_length_c   6.861
_cell_angle_alpha   120.153
_cell_angle_beta   119.517
_cell_angle_gamma   90.287
_symmetry_Int_Tables_number   1
_cell_volume   228.964
_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
  Fe  Fe0  1  0.000  0.000  0.000  1.0
  Re  Re1  1  0.395  0.602  0.206  1.0
  Re  Re2  1  0.395  0.189  0.794  1.0
  Mo  Mo3  1  0.398  0.603  0.796  1.0
  Mo  Mo4  1  0.807  0.603  0.204  1.0
  S  S5  1  0.630  0.364  0.266  1.0
  S  S6  1  0.098  0.364  0.734  1.0
  S  S7  1  0.633  0.364  0.730  1.0
  S  S8  1  0.633  0.903  0.270  1.0
  S  S9  1  0.142  0.866  0.276  1.0
  S  S10  1  0.591  0.866  0.724  1.0
  S  S11  1  0.138  0.869  0.732  1.0
  S  S12  1  0.138  0.406  0.268  1.0
[/CIF]
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