The material described by RuCo8S8 crystallizes in the cubic Fm-3m space group. Ru(1) is bonded to six equivalent S(2) atoms to form RuS6 octahedra that share corners with twenty-four equivalent Co(1)S4 tetrahedra. Co(1) is bonded to one S(1) and three equivalent S(2) atoms to form CoS4 tetrahedra that share corners with three equivalent Ru(1)S6 octahedra, corners with six equivalent Co(1)S4 tetrahedra, and edges with three equivalent Co(1)S4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. There are two inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to four equivalent Co(1) atoms. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Ru(1) and four equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_Co8RuS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.972
_cell_length_b   6.972
_cell_length_c   6.972
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   239.670
_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
  Co  Co0  1  0.622  0.126  0.126  1.0
  Co  Co1  1  0.126  0.622  0.126  1.0
  Co  Co2  1  0.126  0.126  0.622  1.0
  Co  Co3  1  0.126  0.126  0.126  1.0
  Co  Co4  1  0.378  0.874  0.874  1.0
  Co  Co5  1  0.874  0.378  0.874  1.0
  Co  Co6  1  0.874  0.874  0.378  1.0
  Co  Co7  1  0.874  0.874  0.874  1.0
  Ru  Ru8  1  0.500  0.500  0.500  1.0
  S  S9  1  0.250  0.250  0.250  1.0
  S  S10  1  0.750  0.750  0.750  1.0
  S  S11  1  0.740  0.260  0.260  1.0
  S  S12  1  0.740  0.260  0.740  1.0
  S  S13  1  0.740  0.740  0.260  1.0
  S  S14  1  0.260  0.740  0.740  1.0
  S  S15  1  0.260  0.740  0.260  1.0
  S  S16  1  0.260  0.260  0.740  1.0
[/CIF]
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The material described by RuCo8S8 crystallizes in the cubic Fm-3m space group. Ru(1) is bonded to six equivalent S(2) atoms to form RuS6 octahedra that share corners with twenty-four equivalent Co(1)S4 tetrahedra. Co(1) is bonded to one S(1) and three equivalent S(2) atoms to form CoS4 tetrahedra that share corners with three equivalent Ru(1)S6 octahedra, corners with six equivalent Co(1)S4 tetrahedra, and edges with three equivalent Co(1)S4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. There are two inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to four equivalent Co(1) atoms. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Ru(1) and four equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_Co8RuS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.972
_cell_length_b   6.972
_cell_length_c   6.972
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   239.670
_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
  Co  Co0  1  0.622  0.126  0.126  1.0
  Co  Co1  1  0.126  0.622  0.126  1.0
  Co  Co2  1  0.126  0.126  0.622  1.0
  Co  Co3  1  0.126  0.126  0.126  1.0
  Co  Co4  1  0.378  0.874  0.874  1.0
  Co  Co5  1  0.874  0.378  0.874  1.0
  Co  Co6  1  0.874  0.874  0.378  1.0
  Co  Co7  1  0.874  0.874  0.874  1.0
  Ru  Ru8  1  0.500  0.500  0.500  1.0
  S  S9  1  0.250  0.250  0.250  1.0
  S  S10  1  0.750  0.750  0.750  1.0
  S  S11  1  0.740  0.260  0.260  1.0
  S  S12  1  0.740  0.260  0.740  1.0
  S  S13  1  0.740  0.740  0.260  1.0
  S  S14  1  0.260  0.740  0.740  1.0
  S  S15  1  0.260  0.740  0.260  1.0
  S  S16  1  0.260  0.260  0.740  1.0
[/CIF]
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