The structure described by MgHg4Te5 is Lavarevi\'{c}ite-like structured and crystallizes in the tetragonal I-4m2 space group. Mg(1) is bonded to four equivalent Te(3) atoms to form MgTe4 tetrahedra that share corners with four equivalent Mg(1)Te4 tetrahedra and corners with eight equivalent Hg(1)Te4 tetrahedra. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to two equivalent Te(2) and two equivalent Te(3) atoms to form HgTe4 tetrahedra that share corners with four equivalent Mg(1)Te4 tetrahedra, corners with four equivalent Hg(1)Te4 tetrahedra, and corners with four equivalent Hg(2)Te4 tetrahedra. In the second Hg site, Hg(2) is bonded to two equivalent Te(1) and two equivalent Te(2) atoms to form corner-sharing HgTe4 tetrahedra. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to four equivalent Hg(2) atoms to form corner-sharing TeHg4 tetrahedra. In the second Te site, Te(2) is bonded to two equivalent Hg(1) and two equivalent Hg(2) atoms to form TeHg4 tetrahedra that share corners with four equivalent Te(1)Hg4 tetrahedra, corners with four equivalent Te(2)Hg4 tetrahedra, and corners with four equivalent Te(3)Mg2Hg2 tetrahedra. In the third Te site, Te(3) is bonded to two equivalent Mg(1) and two equivalent Hg(1) atoms to form TeMg2Hg2 tetrahedra that share corners with four equivalent Te(2)Hg4 tetrahedra and corners with eight equivalent Te(3)Mg2Hg2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgHg4Te5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.828
_cell_length_b   16.828
_cell_length_c   16.828
_cell_angle_alpha   163.942
_cell_angle_beta   163.942
_cell_angle_gamma   22.785
_symmetry_Int_Tables_number   1
_cell_volume   364.535
_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
  Mg  Mg0  1  0.500  0.500  0.000  1.0
  Hg  Hg1  1  0.901  0.901  0.000  1.0
  Hg  Hg2  1  0.300  0.300  0.000  1.0
  Hg  Hg3  1  0.700  0.700  0.000  1.0
  Hg  Hg4  1  0.099  0.099  0.000  1.0
  Te  Te5  1  0.250  0.750  0.500  1.0
  Te  Te6  1  0.649  0.149  0.500  1.0
  Te  Te7  1  0.048  0.548  0.500  1.0
  Te  Te8  1  0.452  0.952  0.500  1.0
  Te  Te9  1  0.851  0.351  0.500  1.0
[/CIF]
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The structure described by MgHg4Te5 is Lavarevi\'{c}ite-like structured and crystallizes in the tetragonal I-4m2 space group. Mg(1) is bonded to four equivalent Te(3) atoms to form MgTe4 tetrahedra that share corners with four equivalent Mg(1)Te4 tetrahedra and corners with eight equivalent Hg(1)Te4 tetrahedra. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to two equivalent Te(2) and two equivalent Te(3) atoms to form HgTe4 tetrahedra that share corners with four equivalent Mg(1)Te4 tetrahedra, corners with four equivalent Hg(1)Te4 tetrahedra, and corners with four equivalent Hg(2)Te4 tetrahedra. In the second Hg site, Hg(2) is bonded to two equivalent Te(1) and two equivalent Te(2) atoms to form corner-sharing HgTe4 tetrahedra. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to four equivalent Hg(2) atoms to form corner-sharing TeHg4 tetrahedra. In the second Te site, Te(2) is bonded to two equivalent Hg(1) and two equivalent Hg(2) atoms to form TeHg4 tetrahedra that share corners with four equivalent Te(1)Hg4 tetrahedra, corners with four equivalent Te(2)Hg4 tetrahedra, and corners with four equivalent Te(3)Mg2Hg2 tetrahedra. In the third Te site, Te(3) is bonded to two equivalent Mg(1) and two equivalent Hg(1) atoms to form TeMg2Hg2 tetrahedra that share corners with four equivalent Te(2)Hg4 tetrahedra and corners with eight equivalent Te(3)Mg2Hg2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgHg4Te5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.828
_cell_length_b   16.828
_cell_length_c   16.828
_cell_angle_alpha   163.942
_cell_angle_beta   163.942
_cell_angle_gamma   22.785
_symmetry_Int_Tables_number   1
_cell_volume   364.535
_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
  Mg  Mg0  1  0.500  0.500  0.000  1.0
  Hg  Hg1  1  0.901  0.901  0.000  1.0
  Hg  Hg2  1  0.300  0.300  0.000  1.0
  Hg  Hg3  1  0.700  0.700  0.000  1.0
  Hg  Hg4  1  0.099  0.099  0.000  1.0
  Te  Te5  1  0.250  0.750  0.500  1.0
  Te  Te6  1  0.649  0.149  0.500  1.0
  Te  Te7  1  0.048  0.548  0.500  1.0
  Te  Te8  1  0.452  0.952  0.500  1.0
  Te  Te9  1  0.851  0.351  0.500  1.0
[/CIF]
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