The crystal structure described by Re2Ni(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. Ni(1) is bonded in a tetrahedral geometry to two equivalent S(1) and two equivalent S(2) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded to one Mo(1), two equivalent Re(1), and one Ni(1) atom to form distorted SRe2NiMo tetrahedra that share  a cornercorner with one S(1)Re2NiMo tetrahedra, corners with two equivalent S(2)ReNiMo2 tetrahedra,  an edgeedge with one S(1)Re2NiMo tetrahedra, and edges with two equivalent S(2)ReNiMo2 tetrahedra. In the second S site, S(2) is bonded to two equivalent Mo(1), one Re(1), and one Ni(1) atom to form distorted SReNiMo2 tetrahedra that share  a cornercorner with one S(2)ReNiMo2 tetrahedra, corners with two equivalent S(1)Re2NiMo tetrahedra,  an edgeedge with one S(2)ReNiMo2 tetrahedra, and edges with two equivalent S(1)Re2NiMo tetrahedra. In the third S site, S(3) is bonded in a 3-coordinate geometry to one Mo(1) and two equivalent Re(1) atoms. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to two equivalent Mo(1) and one Re(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Re2Ni(MoS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.825
_cell_length_b   6.825
_cell_length_c   6.825
_cell_angle_alpha   120.508
_cell_angle_beta   119.425
_cell_angle_gamma   90.061
_symmetry_Int_Tables_number   1
_cell_volume   224.930
_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
  Re  Re0  1  0.395  0.187  0.792  1.0
  Re  Re1  1  0.395  0.603  0.208  1.0
  Ni  Ni2  1  1.000  1.000  0.000  1.0
  Mo  Mo3  1  0.810  0.603  0.207  1.0
  Mo  Mo4  1  0.396  0.603  0.793  1.0
  S  S5  1  0.596  0.869  0.727  1.0
  S  S6  1  0.142  0.869  0.273  1.0
  S  S7  1  0.137  0.401  0.264  1.0
  S  S8  1  0.137  0.872  0.736  1.0
  S  S9  1  0.094  0.363  0.731  1.0
  S  S10  1  0.631  0.363  0.269  1.0
  S  S11  1  0.634  0.907  0.273  1.0
  S  S12  1  0.634  0.361  0.727  1.0
[/CIF]
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The crystal structure described by Re2Ni(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. Ni(1) is bonded in a tetrahedral geometry to two equivalent S(1) and two equivalent S(2) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded to one Mo(1), two equivalent Re(1), and one Ni(1) atom to form distorted SRe2NiMo tetrahedra that share  a cornercorner with one S(1)Re2NiMo tetrahedra, corners with two equivalent S(2)ReNiMo2 tetrahedra,  an edgeedge with one S(1)Re2NiMo tetrahedra, and edges with two equivalent S(2)ReNiMo2 tetrahedra. In the second S site, S(2) is bonded to two equivalent Mo(1), one Re(1), and one Ni(1) atom to form distorted SReNiMo2 tetrahedra that share  a cornercorner with one S(2)ReNiMo2 tetrahedra, corners with two equivalent S(1)Re2NiMo tetrahedra,  an edgeedge with one S(2)ReNiMo2 tetrahedra, and edges with two equivalent S(1)Re2NiMo tetrahedra. In the third S site, S(3) is bonded in a 3-coordinate geometry to one Mo(1) and two equivalent Re(1) atoms. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to two equivalent Mo(1) and one Re(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Re2Ni(MoS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.825
_cell_length_b   6.825
_cell_length_c   6.825
_cell_angle_alpha   120.508
_cell_angle_beta   119.425
_cell_angle_gamma   90.061
_symmetry_Int_Tables_number   1
_cell_volume   224.930
_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
  Re  Re0  1  0.395  0.187  0.792  1.0
  Re  Re1  1  0.395  0.603  0.208  1.0
  Ni  Ni2  1  1.000  1.000  0.000  1.0
  Mo  Mo3  1  0.810  0.603  0.207  1.0
  Mo  Mo4  1  0.396  0.603  0.793  1.0
  S  S5  1  0.596  0.869  0.727  1.0
  S  S6  1  0.142  0.869  0.273  1.0
  S  S7  1  0.137  0.401  0.264  1.0
  S  S8  1  0.137  0.872  0.736  1.0
  S  S9  1  0.094  0.363  0.731  1.0
  S  S10  1  0.631  0.363  0.269  1.0
  S  S11  1  0.634  0.907  0.273  1.0
  S  S12  1  0.634  0.361  0.727  1.0
[/CIF]
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