The material structure described by MgFe4(HgO4)2 crystallizes in the cubic F-43m space group. Mg(1) is bonded to four equivalent Fe(1) and four equivalent O(1) atoms to form MgFe4O4 tetrahedra that share corners with four equivalent Hg(1)O4 tetrahedra. Fe(1) is bonded in a 7-coordinate geometry to one Mg(1), three equivalent O(1), and three equivalent O(2) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to four equivalent O(1) atoms to form HgO4 tetrahedra that share corners with four equivalent Mg(1)Fe4O4 tetrahedra. In the second Hg site, Hg(2) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a rectangular see-saw-like geometry to three equivalent Fe(1) and one Hg(2) atom. In the second O site, O(1) is bonded in a 5-coordinate geometry to one Mg(1), three equivalent Fe(1), and one Hg(1) atom. is represented by the CIF card [CIF]
data_MgFe4(HgO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.700
_cell_length_b   6.700
_cell_length_c   6.700
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   212.712
_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  0.375  0.375  0.375  1.0
  Fe  Fe1  1  0.518  0.518  0.945  1.0
  Fe  Fe2  1  0.518  0.945  0.518  1.0
  Fe  Fe3  1  0.945  0.518  0.518  1.0
  Fe  Fe4  1  0.518  0.518  0.518  1.0
  Hg  Hg5  1  0.125  0.125  0.125  1.0
  Hg  Hg6  1  0.875  0.875  0.875  1.0
  O  O7  1  0.263  0.263  0.263  1.0
  O  O8  1  0.710  0.263  0.263  1.0
  O  O9  1  0.263  0.710  0.263  1.0
  O  O10  1  0.263  0.263  0.710  1.0
  O  O11  1  0.733  0.733  0.302  1.0
  O  O12  1  0.733  0.302  0.733  1.0
  O  O13  1  0.733  0.733  0.733  1.0
  O  O14  1  0.302  0.733  0.733  1.0
[/CIF]
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The material structure described by MgFe4(HgO4)2 crystallizes in the cubic F-43m space group. Mg(1) is bonded to four equivalent Fe(1) and four equivalent O(1) atoms to form MgFe4O4 tetrahedra that share corners with four equivalent Hg(1)O4 tetrahedra. Fe(1) is bonded in a 7-coordinate geometry to one Mg(1), three equivalent O(1), and three equivalent O(2) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to four equivalent O(1) atoms to form HgO4 tetrahedra that share corners with four equivalent Mg(1)Fe4O4 tetrahedra. In the second Hg site, Hg(2) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a rectangular see-saw-like geometry to three equivalent Fe(1) and one Hg(2) atom. In the second O site, O(1) is bonded in a 5-coordinate geometry to one Mg(1), three equivalent Fe(1), and one Hg(1) atom. is represented by the CIF card [CIF]
data_MgFe4(HgO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.700
_cell_length_b   6.700
_cell_length_c   6.700
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   212.712
_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  0.375  0.375  0.375  1.0
  Fe  Fe1  1  0.518  0.518  0.945  1.0
  Fe  Fe2  1  0.518  0.945  0.518  1.0
  Fe  Fe3  1  0.945  0.518  0.518  1.0
  Fe  Fe4  1  0.518  0.518  0.518  1.0
  Hg  Hg5  1  0.125  0.125  0.125  1.0
  Hg  Hg6  1  0.875  0.875  0.875  1.0
  O  O7  1  0.263  0.263  0.263  1.0
  O  O8  1  0.710  0.263  0.263  1.0
  O  O9  1  0.263  0.710  0.263  1.0
  O  O10  1  0.263  0.263  0.710  1.0
  O  O11  1  0.733  0.733  0.302  1.0
  O  O12  1  0.733  0.302  0.733  1.0
  O  O13  1  0.733  0.733  0.733  1.0
  O  O14  1  0.302  0.733  0.733  1.0
[/CIF]
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