The compound described by CuGaCl4 crystallizes in the tetragonal P-42c space group. Cu(1) is bonded to four equivalent Cl(1) atoms to form CuCl4 tetrahedra that share corners with four equivalent Ga(1)Cl4 tetrahedra. Ga(1) is bonded to four equivalent Cl(1) atoms to form GaCl4 tetrahedra that share corners with four equivalent Cu(1)Cl4 tetrahedra. Cl(1) is bonded in a water-like geometry to one Cu(1) and one Ga(1) atom. is represented by the CIF file [CIF]
data_GaCuCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.411
_cell_length_b   5.411
_cell_length_c   10.154
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   297.327
_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
  Ga  Ga0  1  0.000  0.500  0.750  1.0
  Ga  Ga1  1  0.500  0.000  0.250  1.0
  Cu  Cu2  1  0.000  0.000  0.500  1.0
  Cu  Cu3  1  0.000  0.000  0.000  1.0
  Cl  Cl4  1  0.763  0.734  0.626  1.0
  Cl  Cl5  1  0.734  0.237  0.374  1.0
  Cl  Cl6  1  0.266  0.763  0.374  1.0
  Cl  Cl7  1  0.763  0.266  0.874  1.0
  Cl  Cl8  1  0.237  0.734  0.874  1.0
  Cl  Cl9  1  0.237  0.266  0.626  1.0
  Cl  Cl10  1  0.266  0.237  0.126  1.0
  Cl  Cl11  1  0.734  0.763  0.126  1.0
[/CIF]
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The compound described by CuGaCl4 crystallizes in the tetragonal P-42c space group. Cu(1) is bonded to four equivalent Cl(1) atoms to form CuCl4 tetrahedra that share corners with four equivalent Ga(1)Cl4 tetrahedra. Ga(1) is bonded to four equivalent Cl(1) atoms to form GaCl4 tetrahedra that share corners with four equivalent Cu(1)Cl4 tetrahedra. Cl(1) is bonded in a water-like geometry to one Cu(1) and one Ga(1) atom. is represented by the CIF file [CIF]
data_GaCuCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.411
_cell_length_b   5.411
_cell_length_c   10.154
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   297.327
_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
  Ga  Ga0  1  0.000  0.500  0.750  1.0
  Ga  Ga1  1  0.500  0.000  0.250  1.0
  Cu  Cu2  1  0.000  0.000  0.500  1.0
  Cu  Cu3  1  0.000  0.000  0.000  1.0
  Cl  Cl4  1  0.763  0.734  0.626  1.0
  Cl  Cl5  1  0.734  0.237  0.374  1.0
  Cl  Cl6  1  0.266  0.763  0.374  1.0
  Cl  Cl7  1  0.763  0.266  0.874  1.0
  Cl  Cl8  1  0.237  0.734  0.874  1.0
  Cl  Cl9  1  0.237  0.266  0.626  1.0
  Cl  Cl10  1  0.266  0.237  0.126  1.0
  Cl  Cl11  1  0.734  0.763  0.126  1.0
[/CIF]
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