The material described by MgHg2(BiO3)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form MgO4 trigonal pyramids that share  a cornercorner with one Hg(1)O6 octahedra,  a cornercorner with one Bi(2)O6 octahedra, corners with two equivalent Bi(1)O6 octahedra,  an edgeedge with one Bi(1)O6 octahedra, and  an edgeedge with one Bi(3)O5 square pyramid. The corner-sharing octahedral tilt angles range from 10-50°. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form distorted HgO6 octahedra that share corners with four equivalent Bi(4)O6 octahedra, corners with three equivalent Bi(3)O5 square pyramids,  a cornercorner with one Mg(1)O4 trigonal pyramid,  an edgeedge with one Bi(1)O6 octahedra, and  an edgeedge with one Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. In the second Hg site, Hg(2) is bonded in a 4-coordinate geometry to one O(10), one O(3), one O(7), and one O(8) atom. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(7) atom to form BiO6 octahedra that share corners with three equivalent Bi(3)O5 square pyramids, corners with two equivalent Mg(1)O4 trigonal pyramids,  an edgeedge with one Hg(1)O6 octahedra,  an edgeedge with one Bi(2)O6 octahedra, and  an edgeedge with one Mg(1)O4 trigonal pyramid. In the second Bi site, Bi(2) is bonded to one O(1), one O(10), one O(12), one O(3), one O(6), and one O(8) atom to form BiO6 octahedra that share corners with four equivalent Bi(4)O6 octahedra,  a cornercorner with one Mg(1)O4 trigonal pyramid,  an edgeedge with one Hg(1)O6 octahedra, and  an edgeedge with one Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-58°. In the third Bi site, Bi(3) is bonded to one O(11), one O(4), one O(5), one O(7), and one O(9) atom to form distorted BiO5 square pyramids that share corners with three equivalent Hg(1)O6 octahedra, corners with three equivalent Bi(1)O6 octahedra,  an edgeedge with one Bi(4)O6 octahedra, and  an edgeedge with one Mg(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 49-58°. In the fourth Bi site, Bi(4) is bonded to one O(1), one O(12), one O(4), one O(6), one O(8), and one O(9) atom to form BiO6 octahedra that share corners with four equivalent Hg(1)O6 octahedra, corners with four equivalent Bi(2)O6 octahedra, and  an edgeedge with one Bi(3)O5 square pyramid. The corner-sharing octahedral tilt angles range from 34-58°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Hg(1), one Bi(2), and one Bi(4) atom. In the second O site, O(2) is bonded in a distorted L-shaped geometry to one Mg(1), one Hg(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Hg(2), one Bi(1), and one Bi(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Hg(1), one Bi(3), and one Bi(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one Bi(1), and one Bi(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Bi(2) and one Bi(4) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Mg(1), one Hg(2), one Bi(1), and one Bi(3) atom. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one Hg(2), one Bi(2), and one Bi(4) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Hg(1), one Bi(3), and one Bi(4) atom. In the tenth O site, O(10) is bonded in a trigonal non-coplanar geometry to one Hg(2), one Bi(1), and one Bi(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Hg(1), one Bi(1), and one Bi(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Hg(1), one Bi(2), and one Bi(4) atom. is represented by the CIF card [CIF]
data_MgHg2(BiO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.214
_cell_length_b   5.483
_cell_length_c   10.483
_cell_angle_alpha   87.732
_cell_angle_beta   91.939
_cell_angle_gamma   95.011
_symmetry_Int_Tables_number   1
_cell_volume   298.179
_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  0.317  0.664  0.382  1.0
  Hg  Hg1  1  0.995  0.977  0.995  1.0
  Hg  Hg2  1  0.780  0.507  0.529  1.0
  Bi  Bi3  1  0.953  0.033  0.328  1.0
  Bi  Bi4  1  0.014  0.013  0.677  1.0
  Bi  Bi5  1  0.504  0.457  0.148  1.0
  Bi  Bi6  1  0.489  0.493  0.817  1.0
  O  O7  1  0.206  0.794  0.818  1.0
  O  O8  1  0.179  0.832  0.221  1.0
  O  O9  1  0.134  0.830  0.506  1.0
  O  O10  1  0.299  0.295  0.978  1.0
  O  O11  1  0.250  0.323  0.331  1.0
  O  O12  1  0.285  0.326  0.654  1.0
  O  O13  1  0.679  0.704  0.333  1.0
  O  O14  1  0.678  0.743  0.676  1.0
  O  O15  1  0.690  0.664  0.982  1.0
  O  O16  1  0.773  0.131  0.501  1.0
  O  O17  1  0.773  0.181  0.163  1.0
  O  O18  1  0.800  0.223  0.804  1.0
[/CIF]
.
The material described by MgHg2(BiO3)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form MgO4 trigonal pyramids that share  a cornercorner with one Hg(1)O6 octahedra,  a cornercorner with one Bi(2)O6 octahedra, corners with two equivalent Bi(1)O6 octahedra,  an edgeedge with one Bi(1)O6 octahedra, and  an edgeedge with one Bi(3)O5 square pyramid. The corner-sharing octahedral tilt angles range from 10-50°. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form distorted HgO6 octahedra that share corners with four equivalent Bi(4)O6 octahedra, corners with three equivalent Bi(3)O5 square pyramids,  a cornercorner with one Mg(1)O4 trigonal pyramid,  an edgeedge with one Bi(1)O6 octahedra, and  an edgeedge with one Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. In the second Hg site, Hg(2) is bonded in a 4-coordinate geometry to one O(10), one O(3), one O(7), and one O(8) atom. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(7) atom to form BiO6 octahedra that share corners with three equivalent Bi(3)O5 square pyramids, corners with two equivalent Mg(1)O4 trigonal pyramids,  an edgeedge with one Hg(1)O6 octahedra,  an edgeedge with one Bi(2)O6 octahedra, and  an edgeedge with one Mg(1)O4 trigonal pyramid. In the second Bi site, Bi(2) is bonded to one O(1), one O(10), one O(12), one O(3), one O(6), and one O(8) atom to form BiO6 octahedra that share corners with four equivalent Bi(4)O6 octahedra,  a cornercorner with one Mg(1)O4 trigonal pyramid,  an edgeedge with one Hg(1)O6 octahedra, and  an edgeedge with one Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-58°. In the third Bi site, Bi(3) is bonded to one O(11), one O(4), one O(5), one O(7), and one O(9) atom to form distorted BiO5 square pyramids that share corners with three equivalent Hg(1)O6 octahedra, corners with three equivalent Bi(1)O6 octahedra,  an edgeedge with one Bi(4)O6 octahedra, and  an edgeedge with one Mg(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 49-58°. In the fourth Bi site, Bi(4) is bonded to one O(1), one O(12), one O(4), one O(6), one O(8), and one O(9) atom to form BiO6 octahedra that share corners with four equivalent Hg(1)O6 octahedra, corners with four equivalent Bi(2)O6 octahedra, and  an edgeedge with one Bi(3)O5 square pyramid. The corner-sharing octahedral tilt angles range from 34-58°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Hg(1), one Bi(2), and one Bi(4) atom. In the second O site, O(2) is bonded in a distorted L-shaped geometry to one Mg(1), one Hg(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Hg(2), one Bi(1), and one Bi(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Hg(1), one Bi(3), and one Bi(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one Bi(1), and one Bi(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Bi(2) and one Bi(4) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Mg(1), one Hg(2), one Bi(1), and one Bi(3) atom. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one Hg(2), one Bi(2), and one Bi(4) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Hg(1), one Bi(3), and one Bi(4) atom. In the tenth O site, O(10) is bonded in a trigonal non-coplanar geometry to one Hg(2), one Bi(1), and one Bi(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Hg(1), one Bi(1), and one Bi(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Hg(1), one Bi(2), and one Bi(4) atom. is represented by the CIF card [CIF]
data_MgHg2(BiO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.214
_cell_length_b   5.483
_cell_length_c   10.483
_cell_angle_alpha   87.732
_cell_angle_beta   91.939
_cell_angle_gamma   95.011
_symmetry_Int_Tables_number   1
_cell_volume   298.179
_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  0.317  0.664  0.382  1.0
  Hg  Hg1  1  0.995  0.977  0.995  1.0
  Hg  Hg2  1  0.780  0.507  0.529  1.0
  Bi  Bi3  1  0.953  0.033  0.328  1.0
  Bi  Bi4  1  0.014  0.013  0.677  1.0
  Bi  Bi5  1  0.504  0.457  0.148  1.0
  Bi  Bi6  1  0.489  0.493  0.817  1.0
  O  O7  1  0.206  0.794  0.818  1.0
  O  O8  1  0.179  0.832  0.221  1.0
  O  O9  1  0.134  0.830  0.506  1.0
  O  O10  1  0.299  0.295  0.978  1.0
  O  O11  1  0.250  0.323  0.331  1.0
  O  O12  1  0.285  0.326  0.654  1.0
  O  O13  1  0.679  0.704  0.333  1.0
  O  O14  1  0.678  0.743  0.676  1.0
  O  O15  1  0.690  0.664  0.982  1.0
  O  O16  1  0.773  0.131  0.501  1.0
  O  O17  1  0.773  0.181  0.163  1.0
  O  O18  1  0.800  0.223  0.804  1.0
[/CIF]
.