The material structure described by Mg5Hg3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 5-coordinate geometry to five equivalent Hg(1) atoms. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to six equivalent Hg(1) atoms. Hg(1) is bonded in a 9-coordinate geometry to four equivalent Mg(2) and five equivalent Mg(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg5Hg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.227
_cell_length_b   8.227
_cell_length_c   5.869
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   344.003
_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
  Mg  Mg0  1  0.743  0.000  0.750  1.0
  Mg  Mg1  1  0.743  0.743  0.250  1.0
  Mg  Mg2  1  0.000  0.257  0.250  1.0
  Mg  Mg3  1  0.000  0.743  0.750  1.0
  Mg  Mg4  1  0.257  0.257  0.750  1.0
  Mg  Mg5  1  0.257  0.000  0.250  1.0
  Mg  Mg6  1  0.333  0.667  0.000  1.0
  Mg  Mg7  1  0.667  0.333  0.500  1.0
  Mg  Mg8  1  0.667  0.333  0.000  1.0
  Mg  Mg9  1  0.333  0.667  0.500  1.0
  Hg  Hg10  1  0.386  0.000  0.750  1.0
  Hg  Hg11  1  0.386  0.386  0.250  1.0
  Hg  Hg12  1  0.000  0.614  0.250  1.0
  Hg  Hg13  1  0.000  0.386  0.750  1.0
  Hg  Hg14  1  0.614  0.614  0.750  1.0
  Hg  Hg15  1  0.614  0.000  0.250  1.0
[/CIF]
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The material structure described by Mg5Hg3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 5-coordinate geometry to five equivalent Hg(1) atoms. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to six equivalent Hg(1) atoms. Hg(1) is bonded in a 9-coordinate geometry to four equivalent Mg(2) and five equivalent Mg(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg5Hg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.227
_cell_length_b   8.227
_cell_length_c   5.869
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   344.003
_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
  Mg  Mg0  1  0.743  0.000  0.750  1.0
  Mg  Mg1  1  0.743  0.743  0.250  1.0
  Mg  Mg2  1  0.000  0.257  0.250  1.0
  Mg  Mg3  1  0.000  0.743  0.750  1.0
  Mg  Mg4  1  0.257  0.257  0.750  1.0
  Mg  Mg5  1  0.257  0.000  0.250  1.0
  Mg  Mg6  1  0.333  0.667  0.000  1.0
  Mg  Mg7  1  0.667  0.333  0.500  1.0
  Mg  Mg8  1  0.667  0.333  0.000  1.0
  Mg  Mg9  1  0.333  0.667  0.500  1.0
  Hg  Hg10  1  0.386  0.000  0.750  1.0
  Hg  Hg11  1  0.386  0.386  0.250  1.0
  Hg  Hg12  1  0.000  0.614  0.250  1.0
  Hg  Hg13  1  0.000  0.386  0.750  1.0
  Hg  Hg14  1  0.614  0.614  0.750  1.0
  Hg  Hg15  1  0.614  0.000  0.250  1.0
[/CIF]
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