The crystal structure described by Ir2Ge3S3 crystallizes in the cubic Pm-3 space group. Ir(1) is bonded to three equivalent Ge(1) and three equivalent S(1) atoms to form corner-sharing IrGe3S3 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. Ge(1) is bonded in a 4-coordinate geometry to two equivalent Ir(1) and two equivalent Ge(1) atoms. S(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ir(1) and one S(1) atom. is represented by the CIF file [CIF]
data_Ge3Ir2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.461
_cell_length_b   8.461
_cell_length_c   8.461
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   605.681
_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  0.669  0.000  0.144  1.0
  Ge  Ge1  1  0.331  0.000  0.856  1.0
  Ge  Ge2  1  0.331  0.000  0.144  1.0
  Ge  Ge3  1  0.669  0.000  0.856  1.0
  Ge  Ge4  1  0.144  0.669  0.000  1.0
  Ge  Ge5  1  0.856  0.331  0.000  1.0
  Ge  Ge6  1  0.144  0.331  0.000  1.0
  Ge  Ge7  1  0.856  0.669  0.000  1.0
  Ge  Ge8  1  0.000  0.144  0.669  1.0
  Ge  Ge9  1  0.000  0.856  0.331  1.0
  Ge  Ge10  1  0.000  0.144  0.331  1.0
  Ge  Ge11  1  0.000  0.856  0.669  1.0
  Ir  Ir12  1  0.736  0.264  0.264  1.0
  Ir  Ir13  1  0.264  0.264  0.736  1.0
  Ir  Ir14  1  0.264  0.736  0.264  1.0
  Ir  Ir15  1  0.736  0.736  0.736  1.0
  Ir  Ir16  1  0.264  0.736  0.736  1.0
  Ir  Ir17  1  0.736  0.736  0.264  1.0
  Ir  Ir18  1  0.736  0.264  0.736  1.0
  Ir  Ir19  1  0.264  0.264  0.264  1.0
  S  S20  1  0.169  0.500  0.629  1.0
  S  S21  1  0.831  0.500  0.371  1.0
  S  S22  1  0.831  0.500  0.629  1.0
  S  S23  1  0.169  0.500  0.371  1.0
  S  S24  1  0.629  0.169  0.500  1.0
  S  S25  1  0.371  0.831  0.500  1.0
  S  S26  1  0.629  0.831  0.500  1.0
  S  S27  1  0.371  0.169  0.500  1.0
  S  S28  1  0.500  0.629  0.169  1.0
  S  S29  1  0.500  0.371  0.831  1.0
  S  S30  1  0.500  0.629  0.831  1.0
  S  S31  1  0.500  0.371  0.169  1.0
[/CIF]
.
The crystal structure described by Ir2Ge3S3 crystallizes in the cubic Pm-3 space group. Ir(1) is bonded to three equivalent Ge(1) and three equivalent S(1) atoms to form corner-sharing IrGe3S3 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. Ge(1) is bonded in a 4-coordinate geometry to two equivalent Ir(1) and two equivalent Ge(1) atoms. S(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ir(1) and one S(1) atom. is represented by the CIF file [CIF]
data_Ge3Ir2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.461
_cell_length_b   8.461
_cell_length_c   8.461
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   605.681
_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  0.669  0.000  0.144  1.0
  Ge  Ge1  1  0.331  0.000  0.856  1.0
  Ge  Ge2  1  0.331  0.000  0.144  1.0
  Ge  Ge3  1  0.669  0.000  0.856  1.0
  Ge  Ge4  1  0.144  0.669  0.000  1.0
  Ge  Ge5  1  0.856  0.331  0.000  1.0
  Ge  Ge6  1  0.144  0.331  0.000  1.0
  Ge  Ge7  1  0.856  0.669  0.000  1.0
  Ge  Ge8  1  0.000  0.144  0.669  1.0
  Ge  Ge9  1  0.000  0.856  0.331  1.0
  Ge  Ge10  1  0.000  0.144  0.331  1.0
  Ge  Ge11  1  0.000  0.856  0.669  1.0
  Ir  Ir12  1  0.736  0.264  0.264  1.0
  Ir  Ir13  1  0.264  0.264  0.736  1.0
  Ir  Ir14  1  0.264  0.736  0.264  1.0
  Ir  Ir15  1  0.736  0.736  0.736  1.0
  Ir  Ir16  1  0.264  0.736  0.736  1.0
  Ir  Ir17  1  0.736  0.736  0.264  1.0
  Ir  Ir18  1  0.736  0.264  0.736  1.0
  Ir  Ir19  1  0.264  0.264  0.264  1.0
  S  S20  1  0.169  0.500  0.629  1.0
  S  S21  1  0.831  0.500  0.371  1.0
  S  S22  1  0.831  0.500  0.629  1.0
  S  S23  1  0.169  0.500  0.371  1.0
  S  S24  1  0.629  0.169  0.500  1.0
  S  S25  1  0.371  0.831  0.500  1.0
  S  S26  1  0.629  0.831  0.500  1.0
  S  S27  1  0.371  0.169  0.500  1.0
  S  S28  1  0.500  0.629  0.169  1.0
  S  S29  1  0.500  0.371  0.831  1.0
  S  S30  1  0.500  0.629  0.831  1.0
  S  S31  1  0.500  0.371  0.169  1.0
[/CIF]
.