The material described by IrSbS is Spinel-like structured and crystallizes in the orthorhombic Pca2_1 space group. Ir(1) is bonded to three equivalent Sb(1) and three equivalent S(1) atoms to form IrSb3S3 octahedra that share corners with twelve equivalent Ir(1)Sb3S3 octahedra, corners with three equivalent Sb(1)Ir3S tetrahedra, and corners with three equivalent S(1)SbIr3 tetrahedra. The corner-sharing octahedral tilt angles range from 63-64°. Sb(1) is bonded to three equivalent Ir(1) and one S(1) atom to form distorted SbIr3S tetrahedra that share corners with three equivalent Ir(1)Sb3S3 octahedra, corners with six equivalent Sb(1)Ir3S tetrahedra, and corners with nine equivalent S(1)SbIr3 tetrahedra. The corner-sharing octahedral tilt angles range from 77-81°. S(1) is bonded to three equivalent Ir(1) and one Sb(1) atom to form SSbIr3 tetrahedra that share corners with three equivalent Ir(1)Sb3S3 octahedra, corners with six equivalent S(1)SbIr3 tetrahedra, and corners with nine equivalent Sb(1)Ir3S tetrahedra. The corner-sharing octahedral tilt angles range from 77-80°. is represented by the Crystallographic Information File (CIF) [CIF]
data_SbIrS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.081
_cell_length_b   6.067
_cell_length_c   6.084
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   224.459
_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
  Sb  Sb0  1  0.380  0.634  0.383  1.0
  Sb  Sb1  1  0.620  0.366  0.883  1.0
  Sb  Sb2  1  0.120  0.634  0.883  1.0
  Sb  Sb3  1  0.880  0.366  0.383  1.0
  Ir  Ir4  1  0.510  0.765  0.999  1.0
  Ir  Ir5  1  0.490  0.235  0.499  1.0
  Ir  Ir6  1  0.990  0.765  0.499  1.0
  Ir  Ir7  1  0.010  0.235  0.999  1.0
  S  S8  1  0.118  0.127  0.620  1.0
  S  S9  1  0.882  0.873  0.120  1.0
  S  S10  1  0.382  0.127  0.120  1.0
  S  S11  1  0.618  0.873  0.620  1.0
[/CIF]
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The material described by IrSbS is Spinel-like structured and crystallizes in the orthorhombic Pca2_1 space group. Ir(1) is bonded to three equivalent Sb(1) and three equivalent S(1) atoms to form IrSb3S3 octahedra that share corners with twelve equivalent Ir(1)Sb3S3 octahedra, corners with three equivalent Sb(1)Ir3S tetrahedra, and corners with three equivalent S(1)SbIr3 tetrahedra. The corner-sharing octahedral tilt angles range from 63-64°. Sb(1) is bonded to three equivalent Ir(1) and one S(1) atom to form distorted SbIr3S tetrahedra that share corners with three equivalent Ir(1)Sb3S3 octahedra, corners with six equivalent Sb(1)Ir3S tetrahedra, and corners with nine equivalent S(1)SbIr3 tetrahedra. The corner-sharing octahedral tilt angles range from 77-81°. S(1) is bonded to three equivalent Ir(1) and one Sb(1) atom to form SSbIr3 tetrahedra that share corners with three equivalent Ir(1)Sb3S3 octahedra, corners with six equivalent S(1)SbIr3 tetrahedra, and corners with nine equivalent Sb(1)Ir3S tetrahedra. The corner-sharing octahedral tilt angles range from 77-80°. is represented by the Crystallographic Information File (CIF) [CIF]
data_SbIrS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.081
_cell_length_b   6.067
_cell_length_c   6.084
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   224.459
_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
  Sb  Sb0  1  0.380  0.634  0.383  1.0
  Sb  Sb1  1  0.620  0.366  0.883  1.0
  Sb  Sb2  1  0.120  0.634  0.883  1.0
  Sb  Sb3  1  0.880  0.366  0.383  1.0
  Ir  Ir4  1  0.510  0.765  0.999  1.0
  Ir  Ir5  1  0.490  0.235  0.499  1.0
  Ir  Ir6  1  0.990  0.765  0.499  1.0
  Ir  Ir7  1  0.010  0.235  0.999  1.0
  S  S8  1  0.118  0.127  0.620  1.0
  S  S9  1  0.882  0.873  0.120  1.0
  S  S10  1  0.382  0.127  0.120  1.0
  S  S11  1  0.618  0.873  0.620  1.0
[/CIF]
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