The material structure described by Cu7Hg6 crystallizes in the trigonal R3m space group. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to three equivalent Cu(3), three equivalent Cu(4), three equivalent Cu(5), and three equivalent Cu(6) atoms to form CuCu12 cuboctahedra that share faces with two equivalent Cu(2)Cu6Hg6 cuboctahedra, faces with three equivalent Cu(3)Cu6Hg6 cuboctahedra, faces with three equivalent Cu(4)Cu6Hg6 cuboctahedra, faces with three equivalent Cu(5)Cu7Hg5 cuboctahedra, and faces with three equivalent Cu(6)Cu7Hg5 cuboctahedra. In the second Cu site, Cu(2) is bonded to three equivalent Cu(5), three equivalent Cu(6), three equivalent Hg(2), and three equivalent Hg(3) atoms to form CuCu6Hg6 cuboctahedra that share corners with six equivalent Cu(3)Cu6Hg6 cuboctahedra, corners with six equivalent Cu(4)Cu6Hg6 cuboctahedra, faces with two equivalent Cu(1)Cu12 cuboctahedra, faces with three equivalent Cu(3)Cu6Hg6 cuboctahedra, faces with three equivalent Cu(4)Cu6Hg6 cuboctahedra, faces with three equivalent Cu(5)Cu7Hg5 cuboctahedra, and faces with three equivalent Cu(6)Cu7Hg5 cuboctahedra. In the third Cu site, Cu(3) is bonded to one Cu(1), one Cu(6), two equivalent Cu(4), two equivalent Cu(5), one Hg(2), one Hg(3), and four equivalent Hg(1) atoms to form distorted CuCu6Hg6 cuboctahedra that share corners with two equivalent Cu(2)Cu6Hg6 cuboctahedra, corners with three equivalent Cu(4)Cu6Hg6 cuboctahedra, corners with four equivalent Cu(3)Cu6Hg6 cuboctahedra, corners with five equivalent Cu(6)Cu7Hg5 cuboctahedra, edges with two equivalent Cu(4)Cu6Hg6 cuboctahedra,  a faceface with one Cu(1)Cu12 cuboctahedra,  a faceface with one Cu(2)Cu6Hg6 cuboctahedra, faces with two equivalent Cu(3)Cu6Hg6 cuboctahedra, faces with two equivalent Cu(4)Cu6Hg6 cuboctahedra, faces with three equivalent Cu(6)Cu7Hg5 cuboctahedra, and faces with four equivalent Cu(5)Cu7Hg5 cuboctahedra. In the fourth Cu site, Cu(4) is bonded to one Cu(1), one Cu(5), two equivalent Cu(3), two equivalent Cu(6), one Hg(2), one Hg(3), and four equivalent Hg(1) atoms to form distorted CuCu6Hg6 cuboctahedra that share corners with two equivalent Cu(2)Cu6Hg6 cuboctahedra, corners with three equivalent Cu(3)Cu6Hg6 cuboctahedra, corners with four equivalent Cu(4)Cu6Hg6 cuboctahedra, corners with five equivalent Cu(5)Cu7Hg5 cuboctahedra, edges with two equivalent Cu(3)Cu6Hg6 cuboctahedra,  a faceface with one Cu(1)Cu12 cuboctahedra,  a faceface with one Cu(2)Cu6Hg6 cuboctahedra, faces with two equivalent Cu(3)Cu6Hg6 cuboctahedra, faces with two equivalent Cu(4)Cu6Hg6 cuboctahedra, faces with three equivalent Cu(5)Cu7Hg5 cuboctahedra, and faces with four equivalent Cu(6)Cu7Hg5 cuboctahedra. In the fifth Cu site, Cu(5) is bonded to one Cu(1), one Cu(2), one Cu(4), two equivalent Cu(3), two equivalent Cu(5), one Hg(2), two equivalent Hg(1), and two equivalent Hg(3) atoms to form distorted CuCu7Hg5 cuboctahedra that share corners with two equivalent Cu(6)Cu7Hg5 cuboctahedra, corners with five equivalent Cu(4)Cu6Hg6 cuboctahedra,  an edgeedge with one Cu(6)Cu7Hg5 cuboctahedra,  a faceface with one Cu(1)Cu12 cuboctahedra,  a faceface with one Cu(2)Cu6Hg6 cuboctahedra, faces with two equivalent Cu(5)Cu7Hg5 cuboctahedra, faces with three equivalent Cu(4)Cu6Hg6 cuboctahedra, faces with four equivalent Cu(3)Cu6Hg6 cuboctahedra, and faces with four equivalent Cu(6)Cu7Hg5 cuboctahedra. In the sixth Cu site, Cu(6) is bonded to one Cu(1), one Cu(2), one Cu(3), two equivalent Cu(4), two equivalent Cu(6), one Hg(3), two equivalent Hg(1), and two equivalent Hg(2) atoms to form distorted CuCu7Hg5 cuboctahedra that share corners with two equivalent Cu(5)Cu7Hg5 cuboctahedra, corners with five equivalent Cu(3)Cu6Hg6 cuboctahedra,  an edgeedge with one Cu(5)Cu7Hg5 cuboctahedra,  a faceface with one Cu(1)Cu12 cuboctahedra,  a faceface with one Cu(2)Cu6Hg6 cuboctahedra, faces with two equivalent Cu(6)Cu7Hg5 cuboctahedra, faces with three equivalent Cu(3)Cu6Hg6 cuboctahedra, faces with four equivalent Cu(4)Cu6Hg6 cuboctahedra, and faces with four equivalent Cu(5)Cu7Hg5 cuboctahedra. There are three inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 11-coordinate geometry to one Cu(5), one Cu(6), two equivalent Cu(3), two equivalent Cu(4), one Hg(2), one Hg(3), and three equivalent Hg(1) atoms. In the second Hg site, Hg(2) is bonded in a 11-coordinate geometry to one Cu(2), one Cu(3), one Cu(4), one Cu(5), two equivalent Cu(6), two equivalent Hg(1), and three equivalent Hg(3) atoms. In the third Hg site, Hg(3) is bonded in a 11-coordinate geometry to one Cu(2), one Cu(3), one Cu(4), one Cu(6), two equivalent Cu(5), two equivalent Hg(1), and three equivalent Hg(2) atoms. is represented by the CIF file [CIF]
data_Cu7Hg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.190
_cell_length_b   8.307
_cell_length_c   8.307
_cell_angle_alpha   109.757
_cell_angle_beta   109.184
_cell_angle_gamma   109.184
_symmetry_Int_Tables_number   1
_cell_volume   436.610
_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  0.004  0.000  0.000  1.0
  Cu  Cu1  1  0.503  0.000  0.000  1.0
  Cu  Cu2  1  0.153  0.321  0.321  1.0
  Cu  Cu3  1  0.832  0.679  0.000  1.0
  Cu  Cu4  1  0.832  0.000  0.679  1.0
  Cu  Cu5  1  0.854  0.680  0.680  1.0
  Cu  Cu6  1  0.174  0.320  0.000  1.0
  Cu  Cu7  1  0.174  0.000  0.320  1.0
  Cu  Cu8  1  0.631  0.804  0.804  1.0
  Cu  Cu9  1  0.826  0.196  0.000  1.0
  Cu  Cu10  1  0.826  0.000  0.196  1.0
  Cu  Cu11  1  0.377  0.196  0.196  1.0
  Cu  Cu12  1  0.181  0.804  0.000  1.0
  Cu  Cu13  1  0.181  0.000  0.804  1.0
  Hg  Hg14  1  0.115  0.225  0.611  1.0
  Hg  Hg15  1  0.504  0.389  0.613  1.0
  Hg  Hg16  1  0.890  0.387  0.775  1.0
  Hg  Hg17  1  0.115  0.611  0.225  1.0
  Hg  Hg18  1  0.890  0.775  0.387  1.0
  Hg  Hg19  1  0.504  0.613  0.389  1.0
  Hg  Hg20  1  0.202  0.647  0.647  1.0
  Hg  Hg21  1  0.555  0.353  0.000  1.0
  Hg  Hg22  1  0.555  0.000  0.353  1.0
  Hg  Hg23  1  0.803  0.353  0.353  1.0
  Hg  Hg24  1  0.450  0.647  0.000  1.0
  Hg  Hg25  1  0.450  0.000  0.647  1.0
[/CIF]
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The material structure described by Cu7Hg6 crystallizes in the trigonal R3m space group. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to three equivalent Cu(3), three equivalent Cu(4), three equivalent Cu(5), and three equivalent Cu(6) atoms to form CuCu12 cuboctahedra that share faces with two equivalent Cu(2)Cu6Hg6 cuboctahedra, faces with three equivalent Cu(3)Cu6Hg6 cuboctahedra, faces with three equivalent Cu(4)Cu6Hg6 cuboctahedra, faces with three equivalent Cu(5)Cu7Hg5 cuboctahedra, and faces with three equivalent Cu(6)Cu7Hg5 cuboctahedra. In the second Cu site, Cu(2) is bonded to three equivalent Cu(5), three equivalent Cu(6), three equivalent Hg(2), and three equivalent Hg(3) atoms to form CuCu6Hg6 cuboctahedra that share corners with six equivalent Cu(3)Cu6Hg6 cuboctahedra, corners with six equivalent Cu(4)Cu6Hg6 cuboctahedra, faces with two equivalent Cu(1)Cu12 cuboctahedra, faces with three equivalent Cu(3)Cu6Hg6 cuboctahedra, faces with three equivalent Cu(4)Cu6Hg6 cuboctahedra, faces with three equivalent Cu(5)Cu7Hg5 cuboctahedra, and faces with three equivalent Cu(6)Cu7Hg5 cuboctahedra. In the third Cu site, Cu(3) is bonded to one Cu(1), one Cu(6), two equivalent Cu(4), two equivalent Cu(5), one Hg(2), one Hg(3), and four equivalent Hg(1) atoms to form distorted CuCu6Hg6 cuboctahedra that share corners with two equivalent Cu(2)Cu6Hg6 cuboctahedra, corners with three equivalent Cu(4)Cu6Hg6 cuboctahedra, corners with four equivalent Cu(3)Cu6Hg6 cuboctahedra, corners with five equivalent Cu(6)Cu7Hg5 cuboctahedra, edges with two equivalent Cu(4)Cu6Hg6 cuboctahedra,  a faceface with one Cu(1)Cu12 cuboctahedra,  a faceface with one Cu(2)Cu6Hg6 cuboctahedra, faces with two equivalent Cu(3)Cu6Hg6 cuboctahedra, faces with two equivalent Cu(4)Cu6Hg6 cuboctahedra, faces with three equivalent Cu(6)Cu7Hg5 cuboctahedra, and faces with four equivalent Cu(5)Cu7Hg5 cuboctahedra. In the fourth Cu site, Cu(4) is bonded to one Cu(1), one Cu(5), two equivalent Cu(3), two equivalent Cu(6), one Hg(2), one Hg(3), and four equivalent Hg(1) atoms to form distorted CuCu6Hg6 cuboctahedra that share corners with two equivalent Cu(2)Cu6Hg6 cuboctahedra, corners with three equivalent Cu(3)Cu6Hg6 cuboctahedra, corners with four equivalent Cu(4)Cu6Hg6 cuboctahedra, corners with five equivalent Cu(5)Cu7Hg5 cuboctahedra, edges with two equivalent Cu(3)Cu6Hg6 cuboctahedra,  a faceface with one Cu(1)Cu12 cuboctahedra,  a faceface with one Cu(2)Cu6Hg6 cuboctahedra, faces with two equivalent Cu(3)Cu6Hg6 cuboctahedra, faces with two equivalent Cu(4)Cu6Hg6 cuboctahedra, faces with three equivalent Cu(5)Cu7Hg5 cuboctahedra, and faces with four equivalent Cu(6)Cu7Hg5 cuboctahedra. In the fifth Cu site, Cu(5) is bonded to one Cu(1), one Cu(2), one Cu(4), two equivalent Cu(3), two equivalent Cu(5), one Hg(2), two equivalent Hg(1), and two equivalent Hg(3) atoms to form distorted CuCu7Hg5 cuboctahedra that share corners with two equivalent Cu(6)Cu7Hg5 cuboctahedra, corners with five equivalent Cu(4)Cu6Hg6 cuboctahedra,  an edgeedge with one Cu(6)Cu7Hg5 cuboctahedra,  a faceface with one Cu(1)Cu12 cuboctahedra,  a faceface with one Cu(2)Cu6Hg6 cuboctahedra, faces with two equivalent Cu(5)Cu7Hg5 cuboctahedra, faces with three equivalent Cu(4)Cu6Hg6 cuboctahedra, faces with four equivalent Cu(3)Cu6Hg6 cuboctahedra, and faces with four equivalent Cu(6)Cu7Hg5 cuboctahedra. In the sixth Cu site, Cu(6) is bonded to one Cu(1), one Cu(2), one Cu(3), two equivalent Cu(4), two equivalent Cu(6), one Hg(3), two equivalent Hg(1), and two equivalent Hg(2) atoms to form distorted CuCu7Hg5 cuboctahedra that share corners with two equivalent Cu(5)Cu7Hg5 cuboctahedra, corners with five equivalent Cu(3)Cu6Hg6 cuboctahedra,  an edgeedge with one Cu(5)Cu7Hg5 cuboctahedra,  a faceface with one Cu(1)Cu12 cuboctahedra,  a faceface with one Cu(2)Cu6Hg6 cuboctahedra, faces with two equivalent Cu(6)Cu7Hg5 cuboctahedra, faces with three equivalent Cu(3)Cu6Hg6 cuboctahedra, faces with four equivalent Cu(4)Cu6Hg6 cuboctahedra, and faces with four equivalent Cu(5)Cu7Hg5 cuboctahedra. There are three inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 11-coordinate geometry to one Cu(5), one Cu(6), two equivalent Cu(3), two equivalent Cu(4), one Hg(2), one Hg(3), and three equivalent Hg(1) atoms. In the second Hg site, Hg(2) is bonded in a 11-coordinate geometry to one Cu(2), one Cu(3), one Cu(4), one Cu(5), two equivalent Cu(6), two equivalent Hg(1), and three equivalent Hg(3) atoms. In the third Hg site, Hg(3) is bonded in a 11-coordinate geometry to one Cu(2), one Cu(3), one Cu(4), one Cu(6), two equivalent Cu(5), two equivalent Hg(1), and three equivalent Hg(2) atoms. is represented by the CIF file [CIF]
data_Cu7Hg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.190
_cell_length_b   8.307
_cell_length_c   8.307
_cell_angle_alpha   109.757
_cell_angle_beta   109.184
_cell_angle_gamma   109.184
_symmetry_Int_Tables_number   1
_cell_volume   436.610
_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  0.004  0.000  0.000  1.0
  Cu  Cu1  1  0.503  0.000  0.000  1.0
  Cu  Cu2  1  0.153  0.321  0.321  1.0
  Cu  Cu3  1  0.832  0.679  0.000  1.0
  Cu  Cu4  1  0.832  0.000  0.679  1.0
  Cu  Cu5  1  0.854  0.680  0.680  1.0
  Cu  Cu6  1  0.174  0.320  0.000  1.0
  Cu  Cu7  1  0.174  0.000  0.320  1.0
  Cu  Cu8  1  0.631  0.804  0.804  1.0
  Cu  Cu9  1  0.826  0.196  0.000  1.0
  Cu  Cu10  1  0.826  0.000  0.196  1.0
  Cu  Cu11  1  0.377  0.196  0.196  1.0
  Cu  Cu12  1  0.181  0.804  0.000  1.0
  Cu  Cu13  1  0.181  0.000  0.804  1.0
  Hg  Hg14  1  0.115  0.225  0.611  1.0
  Hg  Hg15  1  0.504  0.389  0.613  1.0
  Hg  Hg16  1  0.890  0.387  0.775  1.0
  Hg  Hg17  1  0.115  0.611  0.225  1.0
  Hg  Hg18  1  0.890  0.775  0.387  1.0
  Hg  Hg19  1  0.504  0.613  0.389  1.0
  Hg  Hg20  1  0.202  0.647  0.647  1.0
  Hg  Hg21  1  0.555  0.353  0.000  1.0
  Hg  Hg22  1  0.555  0.000  0.353  1.0
  Hg  Hg23  1  0.803  0.353  0.353  1.0
  Hg  Hg24  1  0.450  0.647  0.000  1.0
  Hg  Hg25  1  0.450  0.000  0.647  1.0
[/CIF]
.