The structure described by HgCdGa4Te8 crystallizes in the monoclinic C2 space group. Hg(1) is bonded to two equivalent Te(2) and two equivalent Te(3) atoms to form HgTe4 tetrahedra that share corners with two equivalent Ga(2)Te4 tetrahedra and corners with six equivalent Ga(1)Te4 tetrahedra. Cd(1) is bonded to two equivalent Te(1) and two equivalent Te(4) atoms to form CdTe4 tetrahedra that share corners with two equivalent Ga(1)Te4 tetrahedra and corners with six equivalent Ga(2)Te4 tetrahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one Te(1), one Te(2), and two equivalent Te(3) atoms to form GaTe4 tetrahedra that share  a cornercorner with one Cd(1)Te4 tetrahedra, corners with two equivalent Ga(1)Te4 tetrahedra, corners with two equivalent Ga(2)Te4 tetrahedra, and corners with three equivalent Hg(1)Te4 tetrahedra. In the second Ga site, Ga(2) is bonded to one Te(1), one Te(2), and two equivalent Te(4) atoms to form GaTe4 tetrahedra that share  a cornercorner with one Hg(1)Te4 tetrahedra, corners with two equivalent Ga(1)Te4 tetrahedra, corners with two equivalent Ga(2)Te4 tetrahedra, and corners with three equivalent Cd(1)Te4 tetrahedra. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a trigonal non-coplanar geometry to one Cd(1), one Ga(1), and one Ga(2) atom. In the second Te site, Te(2) is bonded in a trigonal non-coplanar geometry to one Hg(1), one Ga(1), and one Ga(2) atom. In the third Te site, Te(3) is bonded in a trigonal non-coplanar geometry to one Hg(1) and two equivalent Ga(1) atoms. In the fourth Te site, Te(4) is bonded in a trigonal non-coplanar geometry to one Cd(1) and two equivalent Ga(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CdGa4HgTe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.053
_cell_length_b   7.718
_cell_length_c   11.527
_cell_angle_alpha   75.198
_cell_angle_beta   74.778
_cell_angle_gamma   66.913
_symmetry_Int_Tables_number   1
_cell_volume   470.855
_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
  Cd  Cd0  1  1.000  0.500  0.500  1.0
  Ga  Ga1  1  0.251  0.375  0.125  1.0
  Ga  Ga2  1  0.249  0.875  0.625  1.0
  Ga  Ga3  1  0.751  0.625  0.875  1.0
  Ga  Ga4  1  0.749  0.125  0.375  1.0
  Hg  Hg5  1  0.000  0.000  0.000  1.0
  Te  Te6  1  0.597  0.548  0.701  1.0
  Te  Te7  1  0.596  0.047  0.202  1.0
  Te  Te8  1  0.156  0.326  0.923  1.0
  Te  Te9  1  0.153  0.826  0.423  1.0
  Te  Te10  1  0.405  0.674  0.077  1.0
  Te  Te11  1  0.402  0.174  0.577  1.0
  Te  Te12  1  0.846  0.452  0.299  1.0
  Te  Te13  1  0.845  0.953  0.798  1.0
[/CIF]
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The structure described by HgCdGa4Te8 crystallizes in the monoclinic C2 space group. Hg(1) is bonded to two equivalent Te(2) and two equivalent Te(3) atoms to form HgTe4 tetrahedra that share corners with two equivalent Ga(2)Te4 tetrahedra and corners with six equivalent Ga(1)Te4 tetrahedra. Cd(1) is bonded to two equivalent Te(1) and two equivalent Te(4) atoms to form CdTe4 tetrahedra that share corners with two equivalent Ga(1)Te4 tetrahedra and corners with six equivalent Ga(2)Te4 tetrahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one Te(1), one Te(2), and two equivalent Te(3) atoms to form GaTe4 tetrahedra that share  a cornercorner with one Cd(1)Te4 tetrahedra, corners with two equivalent Ga(1)Te4 tetrahedra, corners with two equivalent Ga(2)Te4 tetrahedra, and corners with three equivalent Hg(1)Te4 tetrahedra. In the second Ga site, Ga(2) is bonded to one Te(1), one Te(2), and two equivalent Te(4) atoms to form GaTe4 tetrahedra that share  a cornercorner with one Hg(1)Te4 tetrahedra, corners with two equivalent Ga(1)Te4 tetrahedra, corners with two equivalent Ga(2)Te4 tetrahedra, and corners with three equivalent Cd(1)Te4 tetrahedra. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a trigonal non-coplanar geometry to one Cd(1), one Ga(1), and one Ga(2) atom. In the second Te site, Te(2) is bonded in a trigonal non-coplanar geometry to one Hg(1), one Ga(1), and one Ga(2) atom. In the third Te site, Te(3) is bonded in a trigonal non-coplanar geometry to one Hg(1) and two equivalent Ga(1) atoms. In the fourth Te site, Te(4) is bonded in a trigonal non-coplanar geometry to one Cd(1) and two equivalent Ga(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CdGa4HgTe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.053
_cell_length_b   7.718
_cell_length_c   11.527
_cell_angle_alpha   75.198
_cell_angle_beta   74.778
_cell_angle_gamma   66.913
_symmetry_Int_Tables_number   1
_cell_volume   470.855
_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
  Cd  Cd0  1  1.000  0.500  0.500  1.0
  Ga  Ga1  1  0.251  0.375  0.125  1.0
  Ga  Ga2  1  0.249  0.875  0.625  1.0
  Ga  Ga3  1  0.751  0.625  0.875  1.0
  Ga  Ga4  1  0.749  0.125  0.375  1.0
  Hg  Hg5  1  0.000  0.000  0.000  1.0
  Te  Te6  1  0.597  0.548  0.701  1.0
  Te  Te7  1  0.596  0.047  0.202  1.0
  Te  Te8  1  0.156  0.326  0.923  1.0
  Te  Te9  1  0.153  0.826  0.423  1.0
  Te  Te10  1  0.405  0.674  0.077  1.0
  Te  Te11  1  0.402  0.174  0.577  1.0
  Te  Te12  1  0.846  0.452  0.299  1.0
  Te  Te13  1  0.845  0.953  0.798  1.0
[/CIF]
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