The structure described by CuHg3As2Br3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent Br(2) and two equivalent Br(5) atoms to form CuBr4 tetrahedra that share corners with two equivalent Cu(2)Br4 tetrahedra, edges with two equivalent Hg(5)As2Br4 octahedra, and  an edgeedge with one Hg(2)As2Br2 trigonal pyramid. In the second Cu site, Cu(2) is bonded to one Br(1), one Br(3), one Br(4), and one Br(5) atom to form CuBr4 tetrahedra that share  a cornercorner with one Hg(5)As2Br4 octahedra,  a cornercorner with one Cu(1)Br4 tetrahedra,  a cornercorner with one Cu(2)Br4 tetrahedra,  a cornercorner with one Hg(2)As2Br2 trigonal pyramid, and corners with two equivalent Hg(1)As2Br2 trigonal pyramids. The corner-sharing octahedral tilt angles are 74°. There are six inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to one As(2), one As(3), one Br(1), and one Br(3) atom to form distorted HgAs2Br2 trigonal pyramids that share  a cornercorner with one Hg(5)As2Br4 octahedra,  a cornercorner with one As(1)Hg3As tetrahedra,  a cornercorner with one As(2)Hg3As tetrahedra, and corners with two equivalent Cu(2)Br4 tetrahedra. The corner-sharing octahedral tilt angles are 69°. In the second Hg site, Hg(2) is bonded to two equivalent As(1) and two equivalent Br(5) atoms to form distorted HgAs2Br2 trigonal pyramids that share corners with two equivalent Hg(5)As2Br4 octahedra, corners with two equivalent Cu(2)Br4 tetrahedra, corners with two equivalent As(3)Hg3As tetrahedra, and  an edgeedge with one Cu(1)Br4 tetrahedra. The corner-sharing octahedral tilt angles are 78°. In the third Hg site, Hg(3) is bonded in a 6-coordinate geometry to one As(2), one As(3), one Br(1), one Br(2), one Br(4), and one Br(5) atom. In the fourth Hg site, Hg(4) is bonded in a 4-coordinate geometry to one As(1), one As(2), one Br(3), and one Br(4) atom. In the fifth Hg site, Hg(5) is bonded to two equivalent As(3), two equivalent Br(2), and two equivalent Br(5) atoms to form distorted HgAs2Br4 octahedra that share corners with two equivalent Cu(2)Br4 tetrahedra, corners with two equivalent As(1)Hg3As tetrahedra, corners with two equivalent Hg(1)As2Br2 trigonal pyramids, corners with two equivalent Hg(2)As2Br2 trigonal pyramids, and edges with two equivalent Cu(1)Br4 tetrahedra. In the sixth Hg site, Hg(6) is bonded in a linear geometry to two equivalent As(1) atoms. There are three inequivalent As sites. In the first As site, As(1) is bonded to one Hg(2), one Hg(4), one Hg(6), and one As(3) atom to form AsHg3As tetrahedra that share  a cornercorner with one Hg(5)As2Br4 octahedra,  a cornercorner with one As(2)Hg3As tetrahedra, corners with two equivalent As(1)Hg3As tetrahedra, and  a cornercorner with one Hg(1)As2Br2 trigonal pyramid. The corner-sharing octahedral tilt angles are 70°. In the second As site, As(2) is bonded to one Hg(1), one Hg(3), one Hg(4), and one As(2) atom to form AsHg3As tetrahedra that share  a cornercorner with one As(1)Hg3As tetrahedra, corners with two equivalent As(3)Hg3As tetrahedra, and  a cornercorner with one Hg(1)As2Br2 trigonal pyramid. In the third As site, As(3) is bonded to one Hg(1), one Hg(3), one Hg(5), and one As(1) atom to form AsHg3As tetrahedra that share  a cornercorner with one As(3)Hg3As tetrahedra, corners with two equivalent As(2)Hg3As tetrahedra, and  a cornercorner with one Hg(2)As2Br2 trigonal pyramid. There are five inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted bent 120 degrees geometry to one Cu(2), one Hg(1), and one Hg(3) atom. In the second Br site, Br(2) is bonded in a distorted single-bond geometry to one Cu(1), one Hg(3), and one Hg(5) atom. In the third Br site, Br(3) is bonded in a distorted single-bond geometry to one Cu(2), one Hg(1), and one Hg(4) atom. In the fourth Br site, Br(4) is bonded in a distorted linear geometry to two equivalent Cu(2), two equivalent Hg(3), and two equivalent Hg(4) atoms. In the fifth Br site, Br(5) is bonded in a distorted T-shaped geometry to one Cu(1), one Cu(2), one Hg(2), one Hg(3), and one Hg(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuHg3As2Br3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.569
_cell_length_b   13.569
_cell_length_c   15.386
_cell_angle_alpha   58.109
_cell_angle_beta   58.109
_cell_angle_gamma   41.111
_symmetry_Int_Tables_number   1
_cell_volume   1537.732
_cell_formula_units_Z   6
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  0.387  0.613  0.250  1.0
  Cu  Cu1  1  0.613  0.387  0.750  1.0
  Cu  Cu2  1  0.936  0.404  0.210  1.0
  Cu  Cu3  1  0.064  0.596  0.790  1.0
  Cu  Cu4  1  0.404  0.936  0.710  1.0
  Cu  Cu5  1  0.596  0.064  0.290  1.0
  Hg  Hg6  1  0.129  0.535  0.249  1.0
  Hg  Hg7  1  0.821  0.179  0.250  1.0
  Hg  Hg8  1  0.661  0.669  0.999  1.0
  Hg  Hg9  1  0.835  0.827  0.502  1.0
  Hg  Hg10  1  0.339  0.331  0.001  1.0
  Hg  Hg11  1  0.465  0.871  0.251  1.0
  Hg  Hg12  1  0.871  0.465  0.751  1.0
  Hg  Hg13  1  0.827  0.835  0.002  1.0
  Hg  Hg14  1  0.669  0.661  0.499  1.0
  Hg  Hg15  1  0.535  0.129  0.749  1.0
  Hg  Hg16  1  0.500  0.500  0.500  1.0
  Hg  Hg17  1  0.331  0.339  0.501  1.0
  Hg  Hg18  1  0.173  0.165  0.998  1.0
  Hg  Hg19  1  0.179  0.821  0.750  1.0
  Hg  Hg20  1  0.165  0.173  0.498  1.0
  Hg  Hg21  1  0.000  0.000  0.000  1.0
  Hg  Hg22  1  0.000  0.000  0.500  1.0
  Hg  Hg23  1  0.500  0.500  0.000  1.0
  As  As24  1  0.065  0.800  0.951  1.0
  As  As25  1  0.200  0.935  0.549  1.0
  As  As26  1  0.873  0.588  0.552  1.0
  As  As27  1  0.127  0.412  0.448  1.0
  As  As28  1  0.255  0.545  0.050  1.0
  As  As29  1  0.412  0.127  0.948  1.0
  As  As30  1  0.745  0.455  0.950  1.0
  As  As31  1  0.455  0.745  0.450  1.0
  As  As32  1  0.545  0.255  0.550  1.0
  As  As33  1  0.935  0.200  0.049  1.0
  As  As34  1  0.588  0.873  0.052  1.0
  As  As35  1  0.800  0.065  0.451  1.0
  Br  Br36  1  0.141  0.406  0.739  1.0
  Br  Br37  1  0.789  0.320  0.585  1.0
  Br  Br38  1  0.868  0.891  0.254  1.0
  Br  Br39  1  0.000  0.500  0.000  1.0
  Br  Br40  1  0.680  0.211  0.915  1.0
  Br  Br41  1  0.406  0.141  0.239  1.0
  Br  Br42  1  0.500  0.655  0.749  1.0
  Br  Br43  1  0.500  0.345  0.251  1.0
  Br  Br44  1  0.859  0.594  0.261  1.0
  Br  Br45  1  0.594  0.859  0.761  1.0
  Br  Br46  1  0.345  0.500  0.751  1.0
  Br  Br47  1  0.109  0.132  0.246  1.0
  Br  Br48  1  0.132  0.109  0.746  1.0
  Br  Br49  1  0.211  0.680  0.415  1.0
  Br  Br50  1  0.500  0.000  0.500  1.0
  Br  Br51  1  0.891  0.868  0.754  1.0
  Br  Br52  1  0.655  0.500  0.249  1.0
  Br  Br53  1  0.320  0.789  0.085  1.0
[/CIF]
.
The structure described by CuHg3As2Br3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent Br(2) and two equivalent Br(5) atoms to form CuBr4 tetrahedra that share corners with two equivalent Cu(2)Br4 tetrahedra, edges with two equivalent Hg(5)As2Br4 octahedra, and  an edgeedge with one Hg(2)As2Br2 trigonal pyramid. In the second Cu site, Cu(2) is bonded to one Br(1), one Br(3), one Br(4), and one Br(5) atom to form CuBr4 tetrahedra that share  a cornercorner with one Hg(5)As2Br4 octahedra,  a cornercorner with one Cu(1)Br4 tetrahedra,  a cornercorner with one Cu(2)Br4 tetrahedra,  a cornercorner with one Hg(2)As2Br2 trigonal pyramid, and corners with two equivalent Hg(1)As2Br2 trigonal pyramids. The corner-sharing octahedral tilt angles are 74°. There are six inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to one As(2), one As(3), one Br(1), and one Br(3) atom to form distorted HgAs2Br2 trigonal pyramids that share  a cornercorner with one Hg(5)As2Br4 octahedra,  a cornercorner with one As(1)Hg3As tetrahedra,  a cornercorner with one As(2)Hg3As tetrahedra, and corners with two equivalent Cu(2)Br4 tetrahedra. The corner-sharing octahedral tilt angles are 69°. In the second Hg site, Hg(2) is bonded to two equivalent As(1) and two equivalent Br(5) atoms to form distorted HgAs2Br2 trigonal pyramids that share corners with two equivalent Hg(5)As2Br4 octahedra, corners with two equivalent Cu(2)Br4 tetrahedra, corners with two equivalent As(3)Hg3As tetrahedra, and  an edgeedge with one Cu(1)Br4 tetrahedra. The corner-sharing octahedral tilt angles are 78°. In the third Hg site, Hg(3) is bonded in a 6-coordinate geometry to one As(2), one As(3), one Br(1), one Br(2), one Br(4), and one Br(5) atom. In the fourth Hg site, Hg(4) is bonded in a 4-coordinate geometry to one As(1), one As(2), one Br(3), and one Br(4) atom. In the fifth Hg site, Hg(5) is bonded to two equivalent As(3), two equivalent Br(2), and two equivalent Br(5) atoms to form distorted HgAs2Br4 octahedra that share corners with two equivalent Cu(2)Br4 tetrahedra, corners with two equivalent As(1)Hg3As tetrahedra, corners with two equivalent Hg(1)As2Br2 trigonal pyramids, corners with two equivalent Hg(2)As2Br2 trigonal pyramids, and edges with two equivalent Cu(1)Br4 tetrahedra. In the sixth Hg site, Hg(6) is bonded in a linear geometry to two equivalent As(1) atoms. There are three inequivalent As sites. In the first As site, As(1) is bonded to one Hg(2), one Hg(4), one Hg(6), and one As(3) atom to form AsHg3As tetrahedra that share  a cornercorner with one Hg(5)As2Br4 octahedra,  a cornercorner with one As(2)Hg3As tetrahedra, corners with two equivalent As(1)Hg3As tetrahedra, and  a cornercorner with one Hg(1)As2Br2 trigonal pyramid. The corner-sharing octahedral tilt angles are 70°. In the second As site, As(2) is bonded to one Hg(1), one Hg(3), one Hg(4), and one As(2) atom to form AsHg3As tetrahedra that share  a cornercorner with one As(1)Hg3As tetrahedra, corners with two equivalent As(3)Hg3As tetrahedra, and  a cornercorner with one Hg(1)As2Br2 trigonal pyramid. In the third As site, As(3) is bonded to one Hg(1), one Hg(3), one Hg(5), and one As(1) atom to form AsHg3As tetrahedra that share  a cornercorner with one As(3)Hg3As tetrahedra, corners with two equivalent As(2)Hg3As tetrahedra, and  a cornercorner with one Hg(2)As2Br2 trigonal pyramid. There are five inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted bent 120 degrees geometry to one Cu(2), one Hg(1), and one Hg(3) atom. In the second Br site, Br(2) is bonded in a distorted single-bond geometry to one Cu(1), one Hg(3), and one Hg(5) atom. In the third Br site, Br(3) is bonded in a distorted single-bond geometry to one Cu(2), one Hg(1), and one Hg(4) atom. In the fourth Br site, Br(4) is bonded in a distorted linear geometry to two equivalent Cu(2), two equivalent Hg(3), and two equivalent Hg(4) atoms. In the fifth Br site, Br(5) is bonded in a distorted T-shaped geometry to one Cu(1), one Cu(2), one Hg(2), one Hg(3), and one Hg(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuHg3As2Br3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.569
_cell_length_b   13.569
_cell_length_c   15.386
_cell_angle_alpha   58.109
_cell_angle_beta   58.109
_cell_angle_gamma   41.111
_symmetry_Int_Tables_number   1
_cell_volume   1537.732
_cell_formula_units_Z   6
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  0.387  0.613  0.250  1.0
  Cu  Cu1  1  0.613  0.387  0.750  1.0
  Cu  Cu2  1  0.936  0.404  0.210  1.0
  Cu  Cu3  1  0.064  0.596  0.790  1.0
  Cu  Cu4  1  0.404  0.936  0.710  1.0
  Cu  Cu5  1  0.596  0.064  0.290  1.0
  Hg  Hg6  1  0.129  0.535  0.249  1.0
  Hg  Hg7  1  0.821  0.179  0.250  1.0
  Hg  Hg8  1  0.661  0.669  0.999  1.0
  Hg  Hg9  1  0.835  0.827  0.502  1.0
  Hg  Hg10  1  0.339  0.331  0.001  1.0
  Hg  Hg11  1  0.465  0.871  0.251  1.0
  Hg  Hg12  1  0.871  0.465  0.751  1.0
  Hg  Hg13  1  0.827  0.835  0.002  1.0
  Hg  Hg14  1  0.669  0.661  0.499  1.0
  Hg  Hg15  1  0.535  0.129  0.749  1.0
  Hg  Hg16  1  0.500  0.500  0.500  1.0
  Hg  Hg17  1  0.331  0.339  0.501  1.0
  Hg  Hg18  1  0.173  0.165  0.998  1.0
  Hg  Hg19  1  0.179  0.821  0.750  1.0
  Hg  Hg20  1  0.165  0.173  0.498  1.0
  Hg  Hg21  1  0.000  0.000  0.000  1.0
  Hg  Hg22  1  0.000  0.000  0.500  1.0
  Hg  Hg23  1  0.500  0.500  0.000  1.0
  As  As24  1  0.065  0.800  0.951  1.0
  As  As25  1  0.200  0.935  0.549  1.0
  As  As26  1  0.873  0.588  0.552  1.0
  As  As27  1  0.127  0.412  0.448  1.0
  As  As28  1  0.255  0.545  0.050  1.0
  As  As29  1  0.412  0.127  0.948  1.0
  As  As30  1  0.745  0.455  0.950  1.0
  As  As31  1  0.455  0.745  0.450  1.0
  As  As32  1  0.545  0.255  0.550  1.0
  As  As33  1  0.935  0.200  0.049  1.0
  As  As34  1  0.588  0.873  0.052  1.0
  As  As35  1  0.800  0.065  0.451  1.0
  Br  Br36  1  0.141  0.406  0.739  1.0
  Br  Br37  1  0.789  0.320  0.585  1.0
  Br  Br38  1  0.868  0.891  0.254  1.0
  Br  Br39  1  0.000  0.500  0.000  1.0
  Br  Br40  1  0.680  0.211  0.915  1.0
  Br  Br41  1  0.406  0.141  0.239  1.0
  Br  Br42  1  0.500  0.655  0.749  1.0
  Br  Br43  1  0.500  0.345  0.251  1.0
  Br  Br44  1  0.859  0.594  0.261  1.0
  Br  Br45  1  0.594  0.859  0.761  1.0
  Br  Br46  1  0.345  0.500  0.751  1.0
  Br  Br47  1  0.109  0.132  0.246  1.0
  Br  Br48  1  0.132  0.109  0.746  1.0
  Br  Br49  1  0.211  0.680  0.415  1.0
  Br  Br50  1  0.500  0.000  0.500  1.0
  Br  Br51  1  0.891  0.868  0.754  1.0
  Br  Br52  1  0.655  0.500  0.249  1.0
  Br  Br53  1  0.320  0.789  0.085  1.0
[/CIF]
.