The material structure described by Mg5Hg crystallizes in the monoclinic C2 space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted bent 150 degrees geometry to four equivalent Mg(3) and two equivalent Hg(1) atoms. In the second Mg site, Mg(2) is bonded in a distorted bent 150 degrees geometry to four equivalent Mg(3) and two equivalent Hg(1) atoms. In the third Mg site, Mg(3) is bonded to two equivalent Mg(2), three equivalent Mg(3), four equivalent Mg(1), and three equivalent Hg(1) atoms to form distorted MgMg9Hg3 cuboctahedra that share corners with six equivalent Hg(1)Mg12 cuboctahedra, corners with twelve equivalent Mg(3)Mg9Hg3 cuboctahedra, edges with six equivalent Mg(3)Mg9Hg3 cuboctahedra, faces with four equivalent Mg(3)Mg9Hg3 cuboctahedra, and faces with four equivalent Hg(1)Mg12 cuboctahedra. Hg(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), and six equivalent Mg(3) atoms to form HgMg12 cuboctahedra that share corners with six equivalent Hg(1)Mg12 cuboctahedra, corners with twelve equivalent Mg(3)Mg9Hg3 cuboctahedra, edges with six equivalent Hg(1)Mg12 cuboctahedra, and faces with eight equivalent Mg(3)Mg9Hg3 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg5Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.414
_cell_length_b   5.414
_cell_length_c   5.927
_cell_angle_alpha   116.704
_cell_angle_beta   63.296
_cell_angle_gamma   119.898
_symmetry_Int_Tables_number   1
_cell_volume   128.696
_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  0.994  0.999  0.999  1.0
  Mg  Mg1  1  0.673  0.340  1.000  1.0
  Mg  Mg2  1  0.333  0.660  0.001  1.0
  Mg  Mg3  1  0.500  0.834  0.501  1.0
  Mg  Mg4  1  0.167  0.167  0.499  1.0
  Hg  Hg5  1  0.833  0.500  0.500  1.0
[/CIF]
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The material structure described by Mg5Hg crystallizes in the monoclinic C2 space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted bent 150 degrees geometry to four equivalent Mg(3) and two equivalent Hg(1) atoms. In the second Mg site, Mg(2) is bonded in a distorted bent 150 degrees geometry to four equivalent Mg(3) and two equivalent Hg(1) atoms. In the third Mg site, Mg(3) is bonded to two equivalent Mg(2), three equivalent Mg(3), four equivalent Mg(1), and three equivalent Hg(1) atoms to form distorted MgMg9Hg3 cuboctahedra that share corners with six equivalent Hg(1)Mg12 cuboctahedra, corners with twelve equivalent Mg(3)Mg9Hg3 cuboctahedra, edges with six equivalent Mg(3)Mg9Hg3 cuboctahedra, faces with four equivalent Mg(3)Mg9Hg3 cuboctahedra, and faces with four equivalent Hg(1)Mg12 cuboctahedra. Hg(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), and six equivalent Mg(3) atoms to form HgMg12 cuboctahedra that share corners with six equivalent Hg(1)Mg12 cuboctahedra, corners with twelve equivalent Mg(3)Mg9Hg3 cuboctahedra, edges with six equivalent Hg(1)Mg12 cuboctahedra, and faces with eight equivalent Mg(3)Mg9Hg3 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg5Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.414
_cell_length_b   5.414
_cell_length_c   5.927
_cell_angle_alpha   116.704
_cell_angle_beta   63.296
_cell_angle_gamma   119.898
_symmetry_Int_Tables_number   1
_cell_volume   128.696
_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  0.994  0.999  0.999  1.0
  Mg  Mg1  1  0.673  0.340  1.000  1.0
  Mg  Mg2  1  0.333  0.660  0.001  1.0
  Mg  Mg3  1  0.500  0.834  0.501  1.0
  Mg  Mg4  1  0.167  0.167  0.499  1.0
  Hg  Hg5  1  0.833  0.500  0.500  1.0
[/CIF]
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