The compound described by RuTeSe is Spinel-like structured and crystallizes in the cubic P2_13 space group. Ru(1) is bonded to three equivalent Te(1) and three equivalent Se(1) atoms to form RuTe3Se3 octahedra that share corners with twelve equivalent Ru(1)Te3Se3 octahedra, corners with three equivalent Te(1)Ru3Se tetrahedra, and corners with three equivalent Se(1)TeRu3 trigonal pyramids. The corner-sharing octahedral tilt angles are 63°. Te(1) is bonded to three equivalent Ru(1) and one Se(1) atom to form distorted TeRu3Se tetrahedra that share corners with three equivalent Ru(1)Te3Se3 octahedra, corners with six equivalent Te(1)Ru3Se tetrahedra, and corners with nine equivalent Se(1)TeRu3 trigonal pyramids. The corner-sharing octahedral tilt angles are 80°. Se(1) is bonded to three equivalent Ru(1) and one Te(1) atom to form SeTeRu3 trigonal pyramids that share corners with three equivalent Ru(1)Te3Se3 octahedra, corners with nine equivalent Te(1)Ru3Se tetrahedra, and corners with six equivalent Se(1)TeRu3 trigonal pyramids. The corner-sharing octahedral tilt angles are 80°. is represented by the CIF file [CIF]
data_TeRuSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.246
_cell_length_b   6.246
_cell_length_c   6.246
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   243.680
_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
  Te  Te0  1  0.125  0.625  0.875  1.0
  Te  Te1  1  0.625  0.875  0.125  1.0
  Te  Te2  1  0.875  0.125  0.625  1.0
  Te  Te3  1  0.375  0.375  0.375  1.0
  Ru  Ru4  1  0.493  0.993  0.507  1.0
  Ru  Ru5  1  0.993  0.507  0.493  1.0
  Ru  Ru6  1  0.507  0.493  0.993  1.0
  Ru  Ru7  1  0.007  0.007  0.007  1.0
  Se  Se8  1  0.877  0.377  0.123  1.0
  Se  Se9  1  0.377  0.123  0.877  1.0
  Se  Se10  1  0.123  0.877  0.377  1.0
  Se  Se11  1  0.623  0.623  0.623  1.0
[/CIF]
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The compound described by RuTeSe is Spinel-like structured and crystallizes in the cubic P2_13 space group. Ru(1) is bonded to three equivalent Te(1) and three equivalent Se(1) atoms to form RuTe3Se3 octahedra that share corners with twelve equivalent Ru(1)Te3Se3 octahedra, corners with three equivalent Te(1)Ru3Se tetrahedra, and corners with three equivalent Se(1)TeRu3 trigonal pyramids. The corner-sharing octahedral tilt angles are 63°. Te(1) is bonded to three equivalent Ru(1) and one Se(1) atom to form distorted TeRu3Se tetrahedra that share corners with three equivalent Ru(1)Te3Se3 octahedra, corners with six equivalent Te(1)Ru3Se tetrahedra, and corners with nine equivalent Se(1)TeRu3 trigonal pyramids. The corner-sharing octahedral tilt angles are 80°. Se(1) is bonded to three equivalent Ru(1) and one Te(1) atom to form SeTeRu3 trigonal pyramids that share corners with three equivalent Ru(1)Te3Se3 octahedra, corners with nine equivalent Te(1)Ru3Se tetrahedra, and corners with six equivalent Se(1)TeRu3 trigonal pyramids. The corner-sharing octahedral tilt angles are 80°. is represented by the CIF file [CIF]
data_TeRuSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.246
_cell_length_b   6.246
_cell_length_c   6.246
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   243.680
_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
  Te  Te0  1  0.125  0.625  0.875  1.0
  Te  Te1  1  0.625  0.875  0.125  1.0
  Te  Te2  1  0.875  0.125  0.625  1.0
  Te  Te3  1  0.375  0.375  0.375  1.0
  Ru  Ru4  1  0.493  0.993  0.507  1.0
  Ru  Ru5  1  0.993  0.507  0.493  1.0
  Ru  Ru6  1  0.507  0.493  0.993  1.0
  Ru  Ru7  1  0.007  0.007  0.007  1.0
  Se  Se8  1  0.877  0.377  0.123  1.0
  Se  Se9  1  0.377  0.123  0.877  1.0
  Se  Se10  1  0.123  0.877  0.377  1.0
  Se  Se11  1  0.623  0.623  0.623  1.0
[/CIF]
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