The structure described by RuSeS is Spinel-like structured and crystallizes in the cubic P2_13 space group. Ru(1) is bonded to three equivalent Se(1) and three equivalent S(1) atoms to form RuSe3S3 octahedra that share corners with twelve equivalent Ru(1)Se3S3 octahedra, corners with three equivalent Se(1)Ru3S tetrahedra, and corners with three equivalent S(1)Ru3Se tetrahedra. The corner-sharing octahedral tilt angles are 64°. Se(1) is bonded to three equivalent Ru(1) and one S(1) atom to form SeRu3S tetrahedra that share corners with three equivalent Ru(1)Se3S3 octahedra, corners with six equivalent Se(1)Ru3S tetrahedra, and corners with nine equivalent S(1)Ru3Se tetrahedra. The corner-sharing octahedral tilt angles are 78°. S(1) is bonded to three equivalent Ru(1) and one Se(1) atom to form distorted SRu3Se tetrahedra that share corners with three equivalent Ru(1)Se3S3 octahedra, corners with six equivalent S(1)Ru3Se tetrahedra, and corners with nine equivalent Se(1)Ru3S tetrahedra. The corner-sharing octahedral tilt angles are 78°. is represented by the Crystallographic Information File (CIF) [CIF]
data_RuSeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.836
_cell_length_b   5.836
_cell_length_c   5.836
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   198.801
_cell_formula_units_Z   4
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
  Ru  Ru0  1  0.508  0.492  0.992  1.0
  Ru  Ru1  1  0.492  0.992  0.508  1.0
  Ru  Ru2  1  0.992  0.508  0.492  1.0
  Ru  Ru3  1  0.008  0.008  0.008  1.0
  Se  Se4  1  0.881  0.119  0.619  1.0
  Se  Se5  1  0.119  0.619  0.881  1.0
  Se  Se6  1  0.619  0.881  0.119  1.0
  Se  Se7  1  0.381  0.381  0.381  1.0
  S  S8  1  0.116  0.884  0.384  1.0
  S  S9  1  0.884  0.384  0.116  1.0
  S  S10  1  0.384  0.116  0.884  1.0
  S  S11  1  0.616  0.616  0.616  1.0
[/CIF]
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The structure described by RuSeS is Spinel-like structured and crystallizes in the cubic P2_13 space group. Ru(1) is bonded to three equivalent Se(1) and three equivalent S(1) atoms to form RuSe3S3 octahedra that share corners with twelve equivalent Ru(1)Se3S3 octahedra, corners with three equivalent Se(1)Ru3S tetrahedra, and corners with three equivalent S(1)Ru3Se tetrahedra. The corner-sharing octahedral tilt angles are 64°. Se(1) is bonded to three equivalent Ru(1) and one S(1) atom to form SeRu3S tetrahedra that share corners with three equivalent Ru(1)Se3S3 octahedra, corners with six equivalent Se(1)Ru3S tetrahedra, and corners with nine equivalent S(1)Ru3Se tetrahedra. The corner-sharing octahedral tilt angles are 78°. S(1) is bonded to three equivalent Ru(1) and one Se(1) atom to form distorted SRu3Se tetrahedra that share corners with three equivalent Ru(1)Se3S3 octahedra, corners with six equivalent S(1)Ru3Se tetrahedra, and corners with nine equivalent Se(1)Ru3S tetrahedra. The corner-sharing octahedral tilt angles are 78°. is represented by the Crystallographic Information File (CIF) [CIF]
data_RuSeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.836
_cell_length_b   5.836
_cell_length_c   5.836
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   198.801
_cell_formula_units_Z   4
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
  Ru  Ru0  1  0.508  0.492  0.992  1.0
  Ru  Ru1  1  0.492  0.992  0.508  1.0
  Ru  Ru2  1  0.992  0.508  0.492  1.0
  Ru  Ru3  1  0.008  0.008  0.008  1.0
  Se  Se4  1  0.881  0.119  0.619  1.0
  Se  Se5  1  0.119  0.619  0.881  1.0
  Se  Se6  1  0.619  0.881  0.119  1.0
  Se  Se7  1  0.381  0.381  0.381  1.0
  S  S8  1  0.116  0.884  0.384  1.0
  S  S9  1  0.884  0.384  0.116  1.0
  S  S10  1  0.384  0.116  0.884  1.0
  S  S11  1  0.616  0.616  0.616  1.0
[/CIF]
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