The material structure described by MgHg5 crystallizes in the trigonal R32 space group. Mg(1) is bonded to six Hg(1,1,1) and six equivalent Hg(2) atoms to form a mixture of corner and edge-sharing MgHg12 cuboctahedra. There are five inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 8-coordinate geometry to two equivalent Mg(1) and six Hg(1,1) atoms. In the second Hg site, Hg(1) is bonded in a 8-coordinate geometry to two equivalent Mg(1) and six equivalent Hg(1) atoms. In the third Hg site, Hg(2) is bonded in a distorted trigonal planar geometry to three equivalent Mg(1) atoms. In the fourth Hg site, Hg(1) is bonded in a 8-coordinate geometry to two equivalent Mg(1) and six Hg(1,1) atoms. In the fifth Hg site, Hg(1) is bonded in a 8-coordinate geometry to two equivalent Mg(1) and six equivalent Hg(1) atoms. is represented by the CIF file [CIF]
data_MgHg5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.386
_cell_length_b   5.386
_cell_length_c   6.501
_cell_angle_alpha   114.474
_cell_angle_beta   65.526
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   143.435
_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  0.833  0.500  0.500  1.0
  Hg  Hg1  1  0.996  0.000  1.000  1.0
  Hg  Hg2  1  0.670  0.337  1.000  1.0
  Hg  Hg3  1  0.333  0.663  0.000  1.0
  Hg  Hg4  1  0.170  0.163  0.489  1.0
  Hg  Hg5  1  0.496  0.837  0.511  1.0
[/CIF]
.
The material structure described by MgHg5 crystallizes in the trigonal R32 space group. Mg(1) is bonded to six Hg(1,1,1) and six equivalent Hg(2) atoms to form a mixture of corner and edge-sharing MgHg12 cuboctahedra. There are five inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 8-coordinate geometry to two equivalent Mg(1) and six Hg(1,1) atoms. In the second Hg site, Hg(1) is bonded in a 8-coordinate geometry to two equivalent Mg(1) and six equivalent Hg(1) atoms. In the third Hg site, Hg(2) is bonded in a distorted trigonal planar geometry to three equivalent Mg(1) atoms. In the fourth Hg site, Hg(1) is bonded in a 8-coordinate geometry to two equivalent Mg(1) and six Hg(1,1) atoms. In the fifth Hg site, Hg(1) is bonded in a 8-coordinate geometry to two equivalent Mg(1) and six equivalent Hg(1) atoms. is represented by the CIF file [CIF]
data_MgHg5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.386
_cell_length_b   5.386
_cell_length_c   6.501
_cell_angle_alpha   114.474
_cell_angle_beta   65.526
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   143.435
_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  0.833  0.500  0.500  1.0
  Hg  Hg1  1  0.996  0.000  1.000  1.0
  Hg  Hg2  1  0.670  0.337  1.000  1.0
  Hg  Hg3  1  0.333  0.663  0.000  1.0
  Hg  Hg4  1  0.170  0.163  0.489  1.0
  Hg  Hg5  1  0.496  0.837  0.511  1.0
[/CIF]
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