The material described by MgHg2(SbO3)4 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded in a 4-coordinate geometry to one Hg(1), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent O(4), and two equivalent O(5) atoms. In the second Hg site, Hg(2) is bonded to one O(1), one O(6), and four equivalent O(3) atoms to form HgO6 octahedra that share corners with eight equivalent Sb(1)O6 octahedra and edges with two equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-55°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(1), one O(2), one O(5), one O(6), and two equivalent O(3) atoms to form SbO6 octahedra that share corners with four equivalent Hg(2)O6 octahedra, corners with four equivalent Sb(2)O6 octahedra, and  an edgeedge with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-55°. In the second Sb site, Sb(2) is bonded to one O(2), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form SbO6 octahedra that share corners with four equivalent Sb(1)O6 octahedra,  an edgeedge with one Hg(2)O6 octahedra, and  an edgeedge with one Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-46°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Hg(2) and two equivalent Sb(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one Sb(1), and one Sb(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Hg(2), one Sb(1), and one Sb(2) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Hg(1), and two equivalent Sb(2) atoms to form a mixture of distorted corner and face-sharing OMgHgSb2 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Hg(1), one Sb(1), and one Sb(2) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Hg(2) and two equivalent Sb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgHg2(SbO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.042
_cell_length_b   5.042
_cell_length_c   10.250
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   93.032
_symmetry_Int_Tables_number   1
_cell_volume   260.255
_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  0.235  0.765  0.000  1.0
  Hg  Hg1  1  0.866  0.134  0.000  1.0
  Hg  Hg2  1  0.526  0.474  0.500  1.0
  Sb  Sb3  1  0.020  0.980  0.341  1.0
  Sb  Sb4  1  0.020  0.980  0.659  1.0
  Sb  Sb5  1  0.515  0.485  0.190  1.0
  Sb  Sb6  1  0.515  0.485  0.810  1.0
  O  O7  1  0.191  0.809  0.500  1.0
  O  O8  1  0.215  0.785  0.806  1.0
  O  O9  1  0.215  0.785  0.194  1.0
  O  O10  1  0.300  0.279  0.326  1.0
  O  O11  1  0.300  0.279  0.674  1.0
  O  O12  1  0.309  0.339  0.000  1.0
  O  O13  1  0.661  0.691  0.000  1.0
  O  O14  1  0.721  0.700  0.326  1.0
  O  O15  1  0.721  0.700  0.674  1.0
  O  O16  1  0.803  0.197  0.208  1.0
  O  O17  1  0.803  0.197  0.792  1.0
  O  O18  1  0.850  0.150  0.500  1.0
[/CIF]
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The material described by MgHg2(SbO3)4 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded in a 4-coordinate geometry to one Hg(1), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent O(4), and two equivalent O(5) atoms. In the second Hg site, Hg(2) is bonded to one O(1), one O(6), and four equivalent O(3) atoms to form HgO6 octahedra that share corners with eight equivalent Sb(1)O6 octahedra and edges with two equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-55°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(1), one O(2), one O(5), one O(6), and two equivalent O(3) atoms to form SbO6 octahedra that share corners with four equivalent Hg(2)O6 octahedra, corners with four equivalent Sb(2)O6 octahedra, and  an edgeedge with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-55°. In the second Sb site, Sb(2) is bonded to one O(2), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form SbO6 octahedra that share corners with four equivalent Sb(1)O6 octahedra,  an edgeedge with one Hg(2)O6 octahedra, and  an edgeedge with one Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-46°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Hg(2) and two equivalent Sb(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one Sb(1), and one Sb(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Hg(2), one Sb(1), and one Sb(2) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Hg(1), and two equivalent Sb(2) atoms to form a mixture of distorted corner and face-sharing OMgHgSb2 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Hg(1), one Sb(1), and one Sb(2) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Hg(2) and two equivalent Sb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgHg2(SbO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.042
_cell_length_b   5.042
_cell_length_c   10.250
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   93.032
_symmetry_Int_Tables_number   1
_cell_volume   260.255
_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  0.235  0.765  0.000  1.0
  Hg  Hg1  1  0.866  0.134  0.000  1.0
  Hg  Hg2  1  0.526  0.474  0.500  1.0
  Sb  Sb3  1  0.020  0.980  0.341  1.0
  Sb  Sb4  1  0.020  0.980  0.659  1.0
  Sb  Sb5  1  0.515  0.485  0.190  1.0
  Sb  Sb6  1  0.515  0.485  0.810  1.0
  O  O7  1  0.191  0.809  0.500  1.0
  O  O8  1  0.215  0.785  0.806  1.0
  O  O9  1  0.215  0.785  0.194  1.0
  O  O10  1  0.300  0.279  0.326  1.0
  O  O11  1  0.300  0.279  0.674  1.0
  O  O12  1  0.309  0.339  0.000  1.0
  O  O13  1  0.661  0.691  0.000  1.0
  O  O14  1  0.721  0.700  0.326  1.0
  O  O15  1  0.721  0.700  0.674  1.0
  O  O16  1  0.803  0.197  0.208  1.0
  O  O17  1  0.803  0.197  0.792  1.0
  O  O18  1  0.850  0.150  0.500  1.0
[/CIF]
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