The compound described by Ir2Ge3Te3 is Skutterudite-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to two equivalent Ge(1), two equivalent Ge(2), and two equivalent Te(2) atoms to form IrGe4Te2 octahedra that share corners with two equivalent Ir(1)Ge4Te2 octahedra, corners with four equivalent Ir(2)Ge2Te4 octahedra, corners with four equivalent Ge(1)Ge2Ir2 tetrahedra, and corners with four equivalent Te(1)Ge2Ir2 tetrahedra. The corner-sharing octahedral tilt angles range from 50-61°. In the second Ir site, Ir(2) is bonded to two equivalent Ge(1), two equivalent Te(1), and two equivalent Te(2) atoms to form IrGe2Te4 octahedra that share corners with two equivalent Ir(2)Ge2Te4 octahedra, corners with four equivalent Ir(1)Ge4Te2 octahedra, corners with four equivalent Ge(1)Ge2Ir2 tetrahedra, and corners with four equivalent Ge(2)Te2Ir2 tetrahedra. The corner-sharing octahedral tilt angles range from 50-63°. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one Ir(1), one Ir(2), and two equivalent Ge(1) atoms to form distorted GeGe2Ir2 tetrahedra that share corners with two equivalent Ir(2)Ge2Te4 octahedra, corners with two equivalent Ir(1)Ge4Te2 octahedra, corners with two equivalent Ge(1)Ge2Ir2 tetrahedra, corners with two equivalent Ge(2)Te2Ir2 tetrahedra, corners with two equivalent Te(1)Ge2Ir2 tetrahedra, and  an edgeedge with one Ge(1)Ge2Ir2 tetrahedra. The corner-sharing octahedral tilt angles range from 68-69°. In the second Ge site, Ge(2) is bonded to two equivalent Ir(1) and two equivalent Te(1) atoms to form distorted GeTe2Ir2 tetrahedra that share corners with four equivalent Ir(2)Ge2Te4 octahedra, corners with two equivalent Ge(2)Te2Ir2 tetrahedra, corners with four equivalent Ge(1)Ge2Ir2 tetrahedra, and  an edgeedge with one Ge(2)Te2Ir2 tetrahedra. The corner-sharing octahedral tilt angles are 70°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent Ir(2) and two equivalent Ge(2) atoms to form TeGe2Ir2 tetrahedra that share corners with four equivalent Ir(1)Ge4Te2 octahedra, corners with two equivalent Te(1)Ge2Ir2 tetrahedra, corners with four equivalent Ge(1)Ge2Ir2 tetrahedra, and  an edgeedge with one Te(1)Ge2Ir2 tetrahedra. The corner-sharing octahedral tilt angles range from 70-72°. In the second Te site, Te(2) is bonded in a 4-coordinate geometry to one Ir(1), one Ir(2), and two equivalent Te(2) atoms. is represented by the CIF file [CIF]
data_Ge3Te3Ir2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.878
_cell_length_b   7.878
_cell_length_c   9.096
_cell_angle_alpha   55.008
_cell_angle_beta   55.008
_cell_angle_gamma   69.838
_symmetry_Int_Tables_number   1
_cell_volume   378.796
_cell_formula_units_Z   2
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
  Ge  Ge0  1  0.494  0.209  0.648  1.0
  Ge  Ge1  1  0.506  0.791  0.352  1.0
  Ge  Ge2  1  0.791  0.506  0.352  1.0
  Ge  Ge3  1  0.209  0.494  0.648  1.0
  Ge  Ge4  1  0.838  0.838  0.490  1.0
  Ge  Ge5  1  0.162  0.162  0.510  1.0
  Te  Te6  1  0.858  0.858  0.787  1.0
  Te  Te7  1  0.142  0.142  0.213  1.0
  Te  Te8  1  0.675  0.328  0.838  1.0
  Te  Te9  1  0.325  0.672  0.162  1.0
  Te  Te10  1  0.328  0.675  0.838  1.0
  Te  Te11  1  0.672  0.325  0.162  1.0
  Ir  Ir12  1  0.500  0.000  0.500  1.0
  Ir  Ir13  1  0.500  0.000  0.000  1.0
  Ir  Ir14  1  0.000  0.500  0.500  1.0
  Ir  Ir15  1  0.000  0.500  0.000  1.0
[/CIF]
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The compound described by Ir2Ge3Te3 is Skutterudite-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to two equivalent Ge(1), two equivalent Ge(2), and two equivalent Te(2) atoms to form IrGe4Te2 octahedra that share corners with two equivalent Ir(1)Ge4Te2 octahedra, corners with four equivalent Ir(2)Ge2Te4 octahedra, corners with four equivalent Ge(1)Ge2Ir2 tetrahedra, and corners with four equivalent Te(1)Ge2Ir2 tetrahedra. The corner-sharing octahedral tilt angles range from 50-61°. In the second Ir site, Ir(2) is bonded to two equivalent Ge(1), two equivalent Te(1), and two equivalent Te(2) atoms to form IrGe2Te4 octahedra that share corners with two equivalent Ir(2)Ge2Te4 octahedra, corners with four equivalent Ir(1)Ge4Te2 octahedra, corners with four equivalent Ge(1)Ge2Ir2 tetrahedra, and corners with four equivalent Ge(2)Te2Ir2 tetrahedra. The corner-sharing octahedral tilt angles range from 50-63°. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one Ir(1), one Ir(2), and two equivalent Ge(1) atoms to form distorted GeGe2Ir2 tetrahedra that share corners with two equivalent Ir(2)Ge2Te4 octahedra, corners with two equivalent Ir(1)Ge4Te2 octahedra, corners with two equivalent Ge(1)Ge2Ir2 tetrahedra, corners with two equivalent Ge(2)Te2Ir2 tetrahedra, corners with two equivalent Te(1)Ge2Ir2 tetrahedra, and  an edgeedge with one Ge(1)Ge2Ir2 tetrahedra. The corner-sharing octahedral tilt angles range from 68-69°. In the second Ge site, Ge(2) is bonded to two equivalent Ir(1) and two equivalent Te(1) atoms to form distorted GeTe2Ir2 tetrahedra that share corners with four equivalent Ir(2)Ge2Te4 octahedra, corners with two equivalent Ge(2)Te2Ir2 tetrahedra, corners with four equivalent Ge(1)Ge2Ir2 tetrahedra, and  an edgeedge with one Ge(2)Te2Ir2 tetrahedra. The corner-sharing octahedral tilt angles are 70°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent Ir(2) and two equivalent Ge(2) atoms to form TeGe2Ir2 tetrahedra that share corners with four equivalent Ir(1)Ge4Te2 octahedra, corners with two equivalent Te(1)Ge2Ir2 tetrahedra, corners with four equivalent Ge(1)Ge2Ir2 tetrahedra, and  an edgeedge with one Te(1)Ge2Ir2 tetrahedra. The corner-sharing octahedral tilt angles range from 70-72°. In the second Te site, Te(2) is bonded in a 4-coordinate geometry to one Ir(1), one Ir(2), and two equivalent Te(2) atoms. is represented by the CIF file [CIF]
data_Ge3Te3Ir2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.878
_cell_length_b   7.878
_cell_length_c   9.096
_cell_angle_alpha   55.008
_cell_angle_beta   55.008
_cell_angle_gamma   69.838
_symmetry_Int_Tables_number   1
_cell_volume   378.796
_cell_formula_units_Z   2
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
  Ge  Ge0  1  0.494  0.209  0.648  1.0
  Ge  Ge1  1  0.506  0.791  0.352  1.0
  Ge  Ge2  1  0.791  0.506  0.352  1.0
  Ge  Ge3  1  0.209  0.494  0.648  1.0
  Ge  Ge4  1  0.838  0.838  0.490  1.0
  Ge  Ge5  1  0.162  0.162  0.510  1.0
  Te  Te6  1  0.858  0.858  0.787  1.0
  Te  Te7  1  0.142  0.142  0.213  1.0
  Te  Te8  1  0.675  0.328  0.838  1.0
  Te  Te9  1  0.325  0.672  0.162  1.0
  Te  Te10  1  0.328  0.675  0.838  1.0
  Te  Te11  1  0.672  0.325  0.162  1.0
  Ir  Ir12  1  0.500  0.000  0.500  1.0
  Ir  Ir13  1  0.500  0.000  0.000  1.0
  Ir  Ir14  1  0.000  0.500  0.500  1.0
  Ir  Ir15  1  0.000  0.500  0.000  1.0
[/CIF]
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