The compound described by MgHg2(BiO3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form MgO4 tetrahedra that share corners with two equivalent Bi(1)O6 octahedra and  an edgeedge with one Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-57°. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 3-coordinate geometry to one O(2), one O(3), and one O(6) atom. In the second Hg site, Hg(2) is bonded in a 3-coordinate geometry to one O(1), one O(4), and one O(5) atom. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted BiO6 octahedra that share corners with two equivalent Mg(1)O4 tetrahedra and  an edgeedge with one Mg(1)O4 tetrahedra. In the second Bi site, Bi(2) is bonded in a distorted T-shaped geometry to one O(1), one O(2), and one O(3) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Hg(2), one Bi(1), and one Bi(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Hg(1), one Bi(1), and one Bi(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Hg(1), one Bi(1), and one Bi(2) atom. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Mg(1), one Hg(2), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mg(1), one Hg(2), and one Bi(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Hg(1), and one Bi(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgHg2(BiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.782
_cell_length_b   7.632
_cell_length_c   6.266
_cell_angle_alpha   123.926
_cell_angle_beta   54.764
_cell_angle_gamma   128.215
_symmetry_Int_Tables_number   1
_cell_volume   197.642
_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  0.800  0.383  0.467  1.0
  Hg  Hg1  1  0.318  0.771  0.186  1.0
  Hg  Hg2  1  0.683  0.203  0.864  1.0
  Bi  Bi3  1  0.030  0.982  0.946  1.0
  Bi  Bi4  1  0.426  0.557  0.491  1.0
  O  O5  1  0.061  0.314  0.423  1.0
  O  O6  1  0.251  0.769  0.886  1.0
  O  O7  1  0.590  0.770  0.260  1.0
  O  O8  1  0.469  0.221  0.738  1.0
  O  O9  1  0.833  0.201  0.071  1.0
  O  O10  1  0.924  0.725  0.574  1.0
[/CIF]
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The compound described by MgHg2(BiO3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form MgO4 tetrahedra that share corners with two equivalent Bi(1)O6 octahedra and  an edgeedge with one Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-57°. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 3-coordinate geometry to one O(2), one O(3), and one O(6) atom. In the second Hg site, Hg(2) is bonded in a 3-coordinate geometry to one O(1), one O(4), and one O(5) atom. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted BiO6 octahedra that share corners with two equivalent Mg(1)O4 tetrahedra and  an edgeedge with one Mg(1)O4 tetrahedra. In the second Bi site, Bi(2) is bonded in a distorted T-shaped geometry to one O(1), one O(2), and one O(3) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Hg(2), one Bi(1), and one Bi(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Hg(1), one Bi(1), and one Bi(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Hg(1), one Bi(1), and one Bi(2) atom. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Mg(1), one Hg(2), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mg(1), one Hg(2), and one Bi(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Hg(1), and one Bi(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgHg2(BiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.782
_cell_length_b   7.632
_cell_length_c   6.266
_cell_angle_alpha   123.926
_cell_angle_beta   54.764
_cell_angle_gamma   128.215
_symmetry_Int_Tables_number   1
_cell_volume   197.642
_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  0.800  0.383  0.467  1.0
  Hg  Hg1  1  0.318  0.771  0.186  1.0
  Hg  Hg2  1  0.683  0.203  0.864  1.0
  Bi  Bi3  1  0.030  0.982  0.946  1.0
  Bi  Bi4  1  0.426  0.557  0.491  1.0
  O  O5  1  0.061  0.314  0.423  1.0
  O  O6  1  0.251  0.769  0.886  1.0
  O  O7  1  0.590  0.770  0.260  1.0
  O  O8  1  0.469  0.221  0.738  1.0
  O  O9  1  0.833  0.201  0.071  1.0
  O  O10  1  0.924  0.725  0.574  1.0
[/CIF]
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