The crystal structure described by CuGaI4 crystallizes in the tetragonal I-4 space group. Cu(1) is bonded to four equivalent I(1) atoms to form CuI4 tetrahedra that share corners with four equivalent Ga(1)I4 tetrahedra. Ga(1) is bonded to four equivalent I(1) atoms to form GaI4 tetrahedra that share corners with four equivalent Cu(1)I4 tetrahedra. I(1) is bonded in a water-like geometry to one Cu(1) and one Ga(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_GaCuI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.370
_cell_length_b   6.370
_cell_length_c   7.200
_cell_angle_alpha   116.256
_cell_angle_beta   116.256
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   227.901
_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
  Ga  Ga0  1  0.250  0.750  0.500  1.0
  Cu  Cu1  1  0.500  0.500  0.000  1.0
  I  I2  1  0.612  0.635  0.755  1.0
  I  I3  1  0.880  0.388  0.245  1.0
  I  I4  1  0.365  0.856  0.245  1.0
  I  I5  1  0.144  0.120  0.755  1.0
[/CIF]
.
The crystal structure described by CuGaI4 crystallizes in the tetragonal I-4 space group. Cu(1) is bonded to four equivalent I(1) atoms to form CuI4 tetrahedra that share corners with four equivalent Ga(1)I4 tetrahedra. Ga(1) is bonded to four equivalent I(1) atoms to form GaI4 tetrahedra that share corners with four equivalent Cu(1)I4 tetrahedra. I(1) is bonded in a water-like geometry to one Cu(1) and one Ga(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_GaCuI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.370
_cell_length_b   6.370
_cell_length_c   7.200
_cell_angle_alpha   116.256
_cell_angle_beta   116.256
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   227.901
_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
  Ga  Ga0  1  0.250  0.750  0.500  1.0
  Cu  Cu1  1  0.500  0.500  0.000  1.0
  I  I2  1  0.612  0.635  0.755  1.0
  I  I3  1  0.880  0.388  0.245  1.0
  I  I4  1  0.365  0.856  0.245  1.0
  I  I5  1  0.144  0.120  0.755  1.0
[/CIF]
.