The compound described by Cu4Br3Cl is Caswellsilverite-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent Br(1), two equivalent Br(2), and two equivalent Cl(1) atoms to form CuBr4Cl2 octahedra that share corners with six equivalent Cu(1)Br4Cl2 octahedra, edges with four equivalent Cu(1)Br4Cl2 octahedra, and edges with eight equivalent Cu(2)Br5Cl octahedra. The corner-sharing octahedra are not tilted. In the second Cu site, Cu(2) is bonded to one Br(2), four equivalent Br(1), and one Cl(1) atom to form CuBr5Cl octahedra that share corners with six equivalent Cu(2)Br5Cl octahedra, edges with four equivalent Cu(2)Br5Cl octahedra, and edges with eight equivalent Cu(1)Br4Cl2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded to two equivalent Cu(1) and four equivalent Cu(2) atoms to form BrCu6 octahedra that share corners with six equivalent Br(1)Cu6 octahedra, edges with four equivalent Br(1)Cu6 octahedra, edges with four equivalent Br(2)Cu6 octahedra, and edges with four equivalent Cl(1)Cu6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Br site, Br(2) is bonded to two equivalent Cu(2) and four equivalent Cu(1) atoms to form BrCu6 octahedra that share corners with two equivalent Cl(1)Cu6 octahedra, corners with four equivalent Br(2)Cu6 octahedra, edges with four equivalent Cl(1)Cu6 octahedra, and edges with eight equivalent Br(1)Cu6 octahedra. The corner-sharing octahedra are not tilted. Cl(1) is bonded to two equivalent Cu(2) and four equivalent Cu(1) atoms to form ClCu6 octahedra that share corners with two equivalent Br(2)Cu6 octahedra, corners with four equivalent Cl(1)Cu6 octahedra, edges with four equivalent Br(2)Cu6 octahedra, and edges with eight equivalent Br(1)Cu6 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu4Br3Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.513
_cell_length_b   6.513
_cell_length_c   6.513
_cell_angle_alpha   131.724
_cell_angle_beta   131.724
_cell_angle_gamma   70.665
_symmetry_Int_Tables_number   1
_cell_volume   150.738
_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
  Cu  Cu0  1  0.000  0.500  0.500  1.0
  Cu  Cu1  1  0.254  0.254  0.000  1.0
  Cu  Cu2  1  0.500  0.000  0.500  1.0
  Cu  Cu3  1  0.746  0.746  0.000  1.0
  Br  Br4  1  0.750  0.250  0.500  1.0
  Br  Br5  1  0.000  0.000  0.000  1.0
  Br  Br6  1  0.250  0.750  0.500  1.0
  Cl  Cl7  1  0.500  0.500  0.000  1.0
[/CIF]
.
The compound described by Cu4Br3Cl is Caswellsilverite-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent Br(1), two equivalent Br(2), and two equivalent Cl(1) atoms to form CuBr4Cl2 octahedra that share corners with six equivalent Cu(1)Br4Cl2 octahedra, edges with four equivalent Cu(1)Br4Cl2 octahedra, and edges with eight equivalent Cu(2)Br5Cl octahedra. The corner-sharing octahedra are not tilted. In the second Cu site, Cu(2) is bonded to one Br(2), four equivalent Br(1), and one Cl(1) atom to form CuBr5Cl octahedra that share corners with six equivalent Cu(2)Br5Cl octahedra, edges with four equivalent Cu(2)Br5Cl octahedra, and edges with eight equivalent Cu(1)Br4Cl2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded to two equivalent Cu(1) and four equivalent Cu(2) atoms to form BrCu6 octahedra that share corners with six equivalent Br(1)Cu6 octahedra, edges with four equivalent Br(1)Cu6 octahedra, edges with four equivalent Br(2)Cu6 octahedra, and edges with four equivalent Cl(1)Cu6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Br site, Br(2) is bonded to two equivalent Cu(2) and four equivalent Cu(1) atoms to form BrCu6 octahedra that share corners with two equivalent Cl(1)Cu6 octahedra, corners with four equivalent Br(2)Cu6 octahedra, edges with four equivalent Cl(1)Cu6 octahedra, and edges with eight equivalent Br(1)Cu6 octahedra. The corner-sharing octahedra are not tilted. Cl(1) is bonded to two equivalent Cu(2) and four equivalent Cu(1) atoms to form ClCu6 octahedra that share corners with two equivalent Br(2)Cu6 octahedra, corners with four equivalent Cl(1)Cu6 octahedra, edges with four equivalent Br(2)Cu6 octahedra, and edges with eight equivalent Br(1)Cu6 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu4Br3Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.513
_cell_length_b   6.513
_cell_length_c   6.513
_cell_angle_alpha   131.724
_cell_angle_beta   131.724
_cell_angle_gamma   70.665
_symmetry_Int_Tables_number   1
_cell_volume   150.738
_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
  Cu  Cu0  1  0.000  0.500  0.500  1.0
  Cu  Cu1  1  0.254  0.254  0.000  1.0
  Cu  Cu2  1  0.500  0.000  0.500  1.0
  Cu  Cu3  1  0.746  0.746  0.000  1.0
  Br  Br4  1  0.750  0.250  0.500  1.0
  Br  Br5  1  0.000  0.000  0.000  1.0
  Br  Br6  1  0.250  0.750  0.500  1.0
  Cl  Cl7  1  0.500  0.500  0.000  1.0
[/CIF]
.