data_GeTe2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.98
_cell_length_b   6.98
_cell_length_c   6.98
_cell_angle_alpha   33.72
_cell_angle_beta   33.72
_cell_angle_gamma   33.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeTe2Ir
_chemical_formula_sum   'Ge1 Te2 Ir1'
_cell_volume   93.42
_cell_formula_units_Z   1
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  0.0  0.0  0.0  1.0
  Te  Te2  1  0.0  0.0  0.04  1.0
  Te  Te3  1  0.0  0.0  0.7  1.0
  Ir  Ir1  1  0.0  0.0  0.87  1.0

data_GeTe2Ir
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.01
_cell_length_b   4.05
_cell_length_c   6.98
_cell_angle_alpha   90.0
_cell_angle_beta   109.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GeTe2Ir
_chemical_formula_sum   'Ge2 Te4 Ir2'
_cell_volume   186.83
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Te  Te1  2  0.0  0.0  0.3  1.0
  Te  Te2  2  0.0  0.0  0.96  1.0
  Ir  Ir3  2  0.0  0.0  0.13  1.0

Ge Te Te Ir
Ge Te Te Ir 0 1 o o o 0 3 o o - 2 3 o o o 
IrGeTe2 is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two IrGeTe2 clusters. Ir(1) is bonded in a linear geometry to one Ge(1) and one Te(2) atom. The Ir(1)-Ge(1) bond length is 0.93 Å. The Ir(1)-Te(2) bond length is 1.20 Å. Ge(1) is bonded in a linear geometry to one Ir(1) and one Te(1) atom. The Ge(1)-Te(1) bond length is 0.28 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a single-bond geometry to one Ge(1) atom. In the second Te site, Te(2) is bonded in a single-bond geometry to one Ir(1) atom.