The structure described by Ir2Ge3Se3 is Spinel-like structured and crystallizes in the trigonal R-3 space group. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to three equivalent Ge(2) and three equivalent Se(1) atoms to form IrGe3Se3 octahedra that share corners with six equivalent Ir(2)Ge3Se3 octahedra, corners with six equivalent Ge(1)Ir2Se2 tetrahedra, and corners with six equivalent Se(2)Ge2Ir2 tetrahedra. The corner-sharing octahedral tilt angles range from 54-62°. In the second Ir site, Ir(2) is bonded to one Ge(2), two equivalent Ge(1), one Se(1), and two equivalent Se(2) atoms to form IrGe3Se3 octahedra that share corners with two equivalent Ir(1)Ge3Se3 octahedra, corners with four equivalent Ir(2)Ge3Se3 octahedra, corners with two equivalent Ge(1)Ir2Se2 tetrahedra, corners with two equivalent Se(2)Ge2Ir2 tetrahedra, corners with four equivalent Ge(2)Ir2Se2 tetrahedra, and corners with four equivalent Se(1)Ge2Ir2 tetrahedra. The corner-sharing octahedral tilt angles range from 54-62°. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to two equivalent Ir(2) and two equivalent Se(1) atoms to form distorted GeIr2Se2 tetrahedra that share corners with two equivalent Ir(1)Ge3Se3 octahedra, corners with two equivalent Ir(2)Ge3Se3 octahedra, corners with two equivalent Ge(1)Ir2Se2 tetrahedra, corners with two equivalent Ge(2)Ir2Se2 tetrahedra, corners with two equivalent Se(1)Ge2Ir2 tetrahedra, corners with four equivalent Se(2)Ge2Ir2 tetrahedra, and  an edgeedge with one Ge(1)Ir2Se2 tetrahedra. The corner-sharing octahedral tilt angles range from 68-71°. In the second Ge site, Ge(2) is bonded to one Ir(1), one Ir(2), and two equivalent Se(2) atoms to form distorted GeIr2Se2 tetrahedra that share corners with four equivalent Ir(2)Ge3Se3 octahedra, corners with two equivalent Ge(1)Ir2Se2 tetrahedra, corners with two equivalent Ge(2)Ir2Se2 tetrahedra, corners with two equivalent Se(2)Ge2Ir2 tetrahedra, corners with four equivalent Se(1)Ge2Ir2 tetrahedra, and  an edgeedge with one Ge(2)Ir2Se2 tetrahedra. The corner-sharing octahedral tilt angles range from 69-70°. There are two inequivalent Se sites. In the first Se site, Se(2) is bonded to two equivalent Ir(2) and two equivalent Ge(2) atoms to form SeGe2Ir2 tetrahedra that share corners with two equivalent Ir(1)Ge3Se3 octahedra, corners with two equivalent Ir(2)Ge3Se3 octahedra, corners with two equivalent Ge(2)Ir2Se2 tetrahedra, corners with two equivalent Se(1)Ge2Ir2 tetrahedra, corners with two equivalent Se(2)Ge2Ir2 tetrahedra, corners with four equivalent Ge(1)Ir2Se2 tetrahedra, and  an edgeedge with one Se(2)Ge2Ir2 tetrahedra. The corner-sharing octahedral tilt angles range from 68-73°. In the second Se site, Se(1) is bonded to one Ir(1), one Ir(2), and two equivalent Ge(1) atoms to form SeGe2Ir2 tetrahedra that share corners with four equivalent Ir(2)Ge3Se3 octahedra, corners with two equivalent Ge(1)Ir2Se2 tetrahedra, corners with two equivalent Se(1)Ge2Ir2 tetrahedra, corners with two equivalent Se(2)Ge2Ir2 tetrahedra, corners with four equivalent Ge(2)Ir2Se2 tetrahedra, and  an edgeedge with one Se(1)Ge2Ir2 tetrahedra. The corner-sharing octahedral tilt angles range from 68-73°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ge3Ir2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.614
_cell_length_b   8.614
_cell_length_c   8.614
_cell_angle_alpha   89.797
_cell_angle_beta   89.797
_cell_angle_gamma   89.797
_symmetry_Int_Tables_number   1
_cell_volume   639.094
_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
  Ge  Ge0  1  0.502  0.168  0.650  1.0
  Ge  Ge1  1  0.650  0.502  0.168  1.0
  Ge  Ge2  1  0.168  0.650  0.502  1.0
  Ge  Ge3  1  0.498  0.832  0.350  1.0
  Ge  Ge4  1  0.350  0.498  0.832  1.0
  Ge  Ge5  1  0.832  0.350  0.498  1.0
  Ge  Ge6  1  0.002  0.668  0.850  1.0
  Ge  Ge7  1  0.850  0.002  0.668  1.0
  Ge  Ge8  1  0.668  0.850  0.002  1.0
  Ge  Ge9  1  0.998  0.332  0.150  1.0
  Ge  Ge10  1  0.150  0.998  0.332  1.0
  Ge  Ge11  1  0.332  0.150  0.998  1.0
  Ir  Ir12  1  0.753  0.753  0.753  1.0
  Ir  Ir13  1  0.247  0.247  0.247  1.0
  Ir  Ir14  1  0.750  0.254  0.248  1.0
  Ir  Ir15  1  0.248  0.750  0.254  1.0
  Ir  Ir16  1  0.254  0.248  0.750  1.0
  Ir  Ir17  1  0.250  0.746  0.752  1.0
  Ir  Ir18  1  0.752  0.250  0.746  1.0
  Ir  Ir19  1  0.746  0.752  0.250  1.0
  Se  Se20  1  0.497  0.147  0.359  1.0
  Se  Se21  1  0.359  0.497  0.147  1.0
  Se  Se22  1  0.147  0.359  0.497  1.0
  Se  Se23  1  0.503  0.853  0.641  1.0
  Se  Se24  1  0.641  0.503  0.853  1.0
  Se  Se25  1  0.853  0.641  0.503  1.0
  Se  Se26  1  0.000  0.647  0.142  1.0
  Se  Se27  1  0.142  0.000  0.647  1.0
  Se  Se28  1  0.647  0.142  0.000  1.0
  Se  Se29  1  1.000  0.353  0.858  1.0
  Se  Se30  1  0.858  1.000  0.353  1.0
  Se  Se31  1  0.353  0.858  1.000  1.0
[/CIF]
.
The structure described by Ir2Ge3Se3 is Spinel-like structured and crystallizes in the trigonal R-3 space group. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded to three equivalent Ge(2) and three equivalent Se(1) atoms to form IrGe3Se3 octahedra that share corners with six equivalent Ir(2)Ge3Se3 octahedra, corners with six equivalent Ge(1)Ir2Se2 tetrahedra, and corners with six equivalent Se(2)Ge2Ir2 tetrahedra. The corner-sharing octahedral tilt angles range from 54-62°. In the second Ir site, Ir(2) is bonded to one Ge(2), two equivalent Ge(1), one Se(1), and two equivalent Se(2) atoms to form IrGe3Se3 octahedra that share corners with two equivalent Ir(1)Ge3Se3 octahedra, corners with four equivalent Ir(2)Ge3Se3 octahedra, corners with two equivalent Ge(1)Ir2Se2 tetrahedra, corners with two equivalent Se(2)Ge2Ir2 tetrahedra, corners with four equivalent Ge(2)Ir2Se2 tetrahedra, and corners with four equivalent Se(1)Ge2Ir2 tetrahedra. The corner-sharing octahedral tilt angles range from 54-62°. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to two equivalent Ir(2) and two equivalent Se(1) atoms to form distorted GeIr2Se2 tetrahedra that share corners with two equivalent Ir(1)Ge3Se3 octahedra, corners with two equivalent Ir(2)Ge3Se3 octahedra, corners with two equivalent Ge(1)Ir2Se2 tetrahedra, corners with two equivalent Ge(2)Ir2Se2 tetrahedra, corners with two equivalent Se(1)Ge2Ir2 tetrahedra, corners with four equivalent Se(2)Ge2Ir2 tetrahedra, and  an edgeedge with one Ge(1)Ir2Se2 tetrahedra. The corner-sharing octahedral tilt angles range from 68-71°. In the second Ge site, Ge(2) is bonded to one Ir(1), one Ir(2), and two equivalent Se(2) atoms to form distorted GeIr2Se2 tetrahedra that share corners with four equivalent Ir(2)Ge3Se3 octahedra, corners with two equivalent Ge(1)Ir2Se2 tetrahedra, corners with two equivalent Ge(2)Ir2Se2 tetrahedra, corners with two equivalent Se(2)Ge2Ir2 tetrahedra, corners with four equivalent Se(1)Ge2Ir2 tetrahedra, and  an edgeedge with one Ge(2)Ir2Se2 tetrahedra. The corner-sharing octahedral tilt angles range from 69-70°. There are two inequivalent Se sites. In the first Se site, Se(2) is bonded to two equivalent Ir(2) and two equivalent Ge(2) atoms to form SeGe2Ir2 tetrahedra that share corners with two equivalent Ir(1)Ge3Se3 octahedra, corners with two equivalent Ir(2)Ge3Se3 octahedra, corners with two equivalent Ge(2)Ir2Se2 tetrahedra, corners with two equivalent Se(1)Ge2Ir2 tetrahedra, corners with two equivalent Se(2)Ge2Ir2 tetrahedra, corners with four equivalent Ge(1)Ir2Se2 tetrahedra, and  an edgeedge with one Se(2)Ge2Ir2 tetrahedra. The corner-sharing octahedral tilt angles range from 68-73°. In the second Se site, Se(1) is bonded to one Ir(1), one Ir(2), and two equivalent Ge(1) atoms to form SeGe2Ir2 tetrahedra that share corners with four equivalent Ir(2)Ge3Se3 octahedra, corners with two equivalent Ge(1)Ir2Se2 tetrahedra, corners with two equivalent Se(1)Ge2Ir2 tetrahedra, corners with two equivalent Se(2)Ge2Ir2 tetrahedra, corners with four equivalent Ge(2)Ir2Se2 tetrahedra, and  an edgeedge with one Se(1)Ge2Ir2 tetrahedra. The corner-sharing octahedral tilt angles range from 68-73°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ge3Ir2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.614
_cell_length_b   8.614
_cell_length_c   8.614
_cell_angle_alpha   89.797
_cell_angle_beta   89.797
_cell_angle_gamma   89.797
_symmetry_Int_Tables_number   1
_cell_volume   639.094
_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
  Ge  Ge0  1  0.502  0.168  0.650  1.0
  Ge  Ge1  1  0.650  0.502  0.168  1.0
  Ge  Ge2  1  0.168  0.650  0.502  1.0
  Ge  Ge3  1  0.498  0.832  0.350  1.0
  Ge  Ge4  1  0.350  0.498  0.832  1.0
  Ge  Ge5  1  0.832  0.350  0.498  1.0
  Ge  Ge6  1  0.002  0.668  0.850  1.0
  Ge  Ge7  1  0.850  0.002  0.668  1.0
  Ge  Ge8  1  0.668  0.850  0.002  1.0
  Ge  Ge9  1  0.998  0.332  0.150  1.0
  Ge  Ge10  1  0.150  0.998  0.332  1.0
  Ge  Ge11  1  0.332  0.150  0.998  1.0
  Ir  Ir12  1  0.753  0.753  0.753  1.0
  Ir  Ir13  1  0.247  0.247  0.247  1.0
  Ir  Ir14  1  0.750  0.254  0.248  1.0
  Ir  Ir15  1  0.248  0.750  0.254  1.0
  Ir  Ir16  1  0.254  0.248  0.750  1.0
  Ir  Ir17  1  0.250  0.746  0.752  1.0
  Ir  Ir18  1  0.752  0.250  0.746  1.0
  Ir  Ir19  1  0.746  0.752  0.250  1.0
  Se  Se20  1  0.497  0.147  0.359  1.0
  Se  Se21  1  0.359  0.497  0.147  1.0
  Se  Se22  1  0.147  0.359  0.497  1.0
  Se  Se23  1  0.503  0.853  0.641  1.0
  Se  Se24  1  0.641  0.503  0.853  1.0
  Se  Se25  1  0.853  0.641  0.503  1.0
  Se  Se26  1  0.000  0.647  0.142  1.0
  Se  Se27  1  0.142  0.000  0.647  1.0
  Se  Se28  1  0.647  0.142  0.000  1.0
  Se  Se29  1  1.000  0.353  0.858  1.0
  Se  Se30  1  0.858  1.000  0.353  1.0
  Se  Se31  1  0.353  0.858  1.000  1.0
[/CIF]
.