The compound 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 in a 9-coordinate geometry to one Cu(2), one Cu(5), two equivalent Cu(3), two equivalent Cu(4), one Hg(3), and two equivalent Hg(1) atoms. In the second Cu site, Cu(2) is bonded in a cuboctahedral geometry to three equivalent Cu(1), three equivalent Cu(3), three equivalent Cu(4), and three equivalent Cu(5) atoms. In the third Cu site, Cu(3) is bonded in a distorted q6 geometry to one Cu(2), one Cu(4), two equivalent Cu(1), two equivalent Cu(5), one Hg(3), and two equivalent Hg(1) atoms. In the fourth Cu site, Cu(4) is bonded in a 6-coordinate geometry to one Cu(2), one Cu(3), two equivalent Cu(1), and two equivalent Cu(4) atoms. In the fifth Cu site, Cu(5) is bonded in a 12-coordinate geometry to one Cu(1), one Cu(2), one Cu(6), two equivalent Cu(3), two equivalent Cu(5), one Hg(2), two equivalent Hg(1), and two equivalent Hg(3) atoms. In the sixth Cu site, Cu(6) is bonded in a distorted q6 geometry to three equivalent Cu(5), three equivalent Hg(2), and three equivalent Hg(3) atoms. There are three inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 5-coordinate geometry to one Cu(1), one Cu(3), one Cu(5), one Hg(2), and one Hg(3) atom. In the second Hg site, Hg(2) is bonded in a 6-coordinate geometry to one Cu(5), one Cu(6), two equivalent Hg(1), and two equivalent Hg(3) atoms. In the third Hg site, Hg(3) is bonded in a 9-coordinate geometry to one Cu(1), one Cu(3), one Cu(6), two equivalent Cu(5), two equivalent Hg(1), and two equivalent Hg(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu7Hg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.930
_cell_length_b   8.930
_cell_length_c   8.930
_cell_angle_alpha   90.149
_cell_angle_beta   90.149
_cell_angle_gamma   90.149
_symmetry_Int_Tables_number   1
_cell_volume   712.053
_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  0.339  0.015  0.015  1.0
  Cu  Cu1  1  0.092  0.092  0.092  1.0
  Cu  Cu2  1  0.171  0.844  0.171  1.0
  Cu  Cu3  1  0.287  0.287  0.081  1.0
  Cu  Cu4  1  0.892  0.107  0.892  1.0
  Cu  Cu5  1  0.844  0.171  0.171  1.0
  Cu  Cu6  1  0.015  0.339  0.015  1.0
  Cu  Cu7  1  0.107  0.892  0.892  1.0
  Cu  Cu8  1  0.892  0.892  0.107  1.0
  Cu  Cu9  1  0.015  0.015  0.339  1.0
  Cu  Cu10  1  0.838  0.838  0.838  1.0
  Cu  Cu11  1  0.287  0.081  0.287  1.0
  Cu  Cu12  1  0.081  0.287  0.287  1.0
  Cu  Cu13  1  0.171  0.171  0.844  1.0
  Hg  Hg14  1  0.349  0.966  0.695  1.0
  Hg  Hg15  1  0.667  0.029  0.667  1.0
  Hg  Hg16  1  0.966  0.349  0.695  1.0
  Hg  Hg17  1  0.621  0.015  0.015  1.0
  Hg  Hg18  1  0.966  0.695  0.349  1.0
  Hg  Hg19  1  0.667  0.667  0.029  1.0
  Hg  Hg20  1  0.695  0.349  0.966  1.0
  Hg  Hg21  1  0.349  0.695  0.966  1.0
  Hg  Hg22  1  0.015  0.621  0.015  1.0
  Hg  Hg23  1  0.015  0.015  0.621  1.0
  Hg  Hg24  1  0.695  0.966  0.349  1.0
  Hg  Hg25  1  0.029  0.667  0.667  1.0
[/CIF]
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The compound 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 in a 9-coordinate geometry to one Cu(2), one Cu(5), two equivalent Cu(3), two equivalent Cu(4), one Hg(3), and two equivalent Hg(1) atoms. In the second Cu site, Cu(2) is bonded in a cuboctahedral geometry to three equivalent Cu(1), three equivalent Cu(3), three equivalent Cu(4), and three equivalent Cu(5) atoms. In the third Cu site, Cu(3) is bonded in a distorted q6 geometry to one Cu(2), one Cu(4), two equivalent Cu(1), two equivalent Cu(5), one Hg(3), and two equivalent Hg(1) atoms. In the fourth Cu site, Cu(4) is bonded in a 6-coordinate geometry to one Cu(2), one Cu(3), two equivalent Cu(1), and two equivalent Cu(4) atoms. In the fifth Cu site, Cu(5) is bonded in a 12-coordinate geometry to one Cu(1), one Cu(2), one Cu(6), two equivalent Cu(3), two equivalent Cu(5), one Hg(2), two equivalent Hg(1), and two equivalent Hg(3) atoms. In the sixth Cu site, Cu(6) is bonded in a distorted q6 geometry to three equivalent Cu(5), three equivalent Hg(2), and three equivalent Hg(3) atoms. There are three inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 5-coordinate geometry to one Cu(1), one Cu(3), one Cu(5), one Hg(2), and one Hg(3) atom. In the second Hg site, Hg(2) is bonded in a 6-coordinate geometry to one Cu(5), one Cu(6), two equivalent Hg(1), and two equivalent Hg(3) atoms. In the third Hg site, Hg(3) is bonded in a 9-coordinate geometry to one Cu(1), one Cu(3), one Cu(6), two equivalent Cu(5), two equivalent Hg(1), and two equivalent Hg(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu7Hg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.930
_cell_length_b   8.930
_cell_length_c   8.930
_cell_angle_alpha   90.149
_cell_angle_beta   90.149
_cell_angle_gamma   90.149
_symmetry_Int_Tables_number   1
_cell_volume   712.053
_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  0.339  0.015  0.015  1.0
  Cu  Cu1  1  0.092  0.092  0.092  1.0
  Cu  Cu2  1  0.171  0.844  0.171  1.0
  Cu  Cu3  1  0.287  0.287  0.081  1.0
  Cu  Cu4  1  0.892  0.107  0.892  1.0
  Cu  Cu5  1  0.844  0.171  0.171  1.0
  Cu  Cu6  1  0.015  0.339  0.015  1.0
  Cu  Cu7  1  0.107  0.892  0.892  1.0
  Cu  Cu8  1  0.892  0.892  0.107  1.0
  Cu  Cu9  1  0.015  0.015  0.339  1.0
  Cu  Cu10  1  0.838  0.838  0.838  1.0
  Cu  Cu11  1  0.287  0.081  0.287  1.0
  Cu  Cu12  1  0.081  0.287  0.287  1.0
  Cu  Cu13  1  0.171  0.171  0.844  1.0
  Hg  Hg14  1  0.349  0.966  0.695  1.0
  Hg  Hg15  1  0.667  0.029  0.667  1.0
  Hg  Hg16  1  0.966  0.349  0.695  1.0
  Hg  Hg17  1  0.621  0.015  0.015  1.0
  Hg  Hg18  1  0.966  0.695  0.349  1.0
  Hg  Hg19  1  0.667  0.667  0.029  1.0
  Hg  Hg20  1  0.695  0.349  0.966  1.0
  Hg  Hg21  1  0.349  0.695  0.966  1.0
  Hg  Hg22  1  0.015  0.621  0.015  1.0
  Hg  Hg23  1  0.015  0.015  0.621  1.0
  Hg  Hg24  1  0.695  0.966  0.349  1.0
  Hg  Hg25  1  0.029  0.667  0.667  1.0
[/CIF]
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