The material described by RuS2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. Ru(1) is bonded to six equivalent S(1) atoms to form RuS6 octahedra that share corners with twelve equivalent Ru(1)S6 octahedra and corners with six equivalent S(1)Ru3S tetrahedra. The corner-sharing octahedral tilt angles are 65°. S(1) is bonded to three equivalent Ru(1) and one S(1) atom to form distorted SRu3S tetrahedra that share corners with three equivalent Ru(1)S6 octahedra and corners with fifteen equivalent S(1)Ru3S tetrahedra. The corner-sharing octahedral tilt angles are 77°. is represented by the CIF card [CIF]
data_RuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.631
_cell_length_b   5.631
_cell_length_c   5.631
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   178.512
_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  0.000  0.500  0.500  1.0
  Ru  Ru1  1  0.500  0.500  0.000  1.0
  Ru  Ru2  1  0.500  0.000  0.500  1.0
  Ru  Ru3  1  0.000  0.000  0.000  1.0
  S  S4  1  0.388  0.112  0.888  1.0
  S  S5  1  0.112  0.888  0.388  1.0
  S  S6  1  0.888  0.388  0.112  1.0
  S  S7  1  0.612  0.612  0.612  1.0
  S  S8  1  0.388  0.388  0.388  1.0
  S  S9  1  0.112  0.612  0.888  1.0
  S  S10  1  0.888  0.112  0.612  1.0
  S  S11  1  0.612  0.888  0.112  1.0
[/CIF]
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The material described by RuS2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. Ru(1) is bonded to six equivalent S(1) atoms to form RuS6 octahedra that share corners with twelve equivalent Ru(1)S6 octahedra and corners with six equivalent S(1)Ru3S tetrahedra. The corner-sharing octahedral tilt angles are 65°. S(1) is bonded to three equivalent Ru(1) and one S(1) atom to form distorted SRu3S tetrahedra that share corners with three equivalent Ru(1)S6 octahedra and corners with fifteen equivalent S(1)Ru3S tetrahedra. The corner-sharing octahedral tilt angles are 77°. is represented by the CIF card [CIF]
data_RuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.631
_cell_length_b   5.631
_cell_length_c   5.631
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   178.512
_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  0.000  0.500  0.500  1.0
  Ru  Ru1  1  0.500  0.500  0.000  1.0
  Ru  Ru2  1  0.500  0.000  0.500  1.0
  Ru  Ru3  1  0.000  0.000  0.000  1.0
  S  S4  1  0.388  0.112  0.888  1.0
  S  S5  1  0.112  0.888  0.388  1.0
  S  S6  1  0.888  0.388  0.112  1.0
  S  S7  1  0.612  0.612  0.612  1.0
  S  S8  1  0.388  0.388  0.388  1.0
  S  S9  1  0.112  0.612  0.888  1.0
  S  S10  1  0.888  0.112  0.612  1.0
  S  S11  1  0.612  0.888  0.112  1.0
[/CIF]
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