The material described by CuGeI3 crystallizes in the tetragonal I4/mcm space group. Cu(1) is bonded in a 4-coordinate geometry to four equivalent I(2) atoms. Ge(1) is bonded to two equivalent I(1) and four equivalent I(2) atoms to form corner-sharing GeI6 octahedra. The corner-sharing octahedral tilt angles range from 0-40°. There are two inequivalent I sites. In the first I site, I(1) is bonded in a linear geometry to two equivalent Ge(1) atoms. In the second I site, I(2) is bonded to two equivalent Cu(1) and two equivalent Ge(1) atoms to form a mixture of edge and corner-sharing ICu2Ge2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuGeI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.940
_cell_length_b   7.940
_cell_length_c   7.940
_cell_angle_alpha   118.640
_cell_angle_beta   118.640
_cell_angle_gamma   92.371
_symmetry_Int_Tables_number   1
_cell_volume   360.906
_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
  Cu  Cu0  1  0.250  0.750  0.500  1.0
  Cu  Cu1  1  0.750  0.250  0.500  1.0
  Ge  Ge2  1  0.500  0.500  0.000  1.0
  Ge  Ge3  1  0.000  0.000  0.000  1.0
  I  I4  1  0.750  0.750  0.000  1.0
  I  I5  1  0.250  0.250  0.000  1.0
  I  I6  1  0.160  0.660  0.819  1.0
  I  I7  1  0.840  0.340  0.181  1.0
  I  I8  1  0.660  0.840  0.500  1.0
  I  I9  1  0.340  0.160  0.500  1.0
[/CIF]
.
The material described by CuGeI3 crystallizes in the tetragonal I4/mcm space group. Cu(1) is bonded in a 4-coordinate geometry to four equivalent I(2) atoms. Ge(1) is bonded to two equivalent I(1) and four equivalent I(2) atoms to form corner-sharing GeI6 octahedra. The corner-sharing octahedral tilt angles range from 0-40°. There are two inequivalent I sites. In the first I site, I(1) is bonded in a linear geometry to two equivalent Ge(1) atoms. In the second I site, I(2) is bonded to two equivalent Cu(1) and two equivalent Ge(1) atoms to form a mixture of edge and corner-sharing ICu2Ge2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuGeI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.940
_cell_length_b   7.940
_cell_length_c   7.940
_cell_angle_alpha   118.640
_cell_angle_beta   118.640
_cell_angle_gamma   92.371
_symmetry_Int_Tables_number   1
_cell_volume   360.906
_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
  Cu  Cu0  1  0.250  0.750  0.500  1.0
  Cu  Cu1  1  0.750  0.250  0.500  1.0
  Ge  Ge2  1  0.500  0.500  0.000  1.0
  Ge  Ge3  1  0.000  0.000  0.000  1.0
  I  I4  1  0.750  0.750  0.000  1.0
  I  I5  1  0.250  0.250  0.000  1.0
  I  I6  1  0.160  0.660  0.819  1.0
  I  I7  1  0.840  0.340  0.181  1.0
  I  I8  1  0.660  0.840  0.500  1.0
  I  I9  1  0.340  0.160  0.500  1.0
[/CIF]
.