The material described by MgFe4(HgO4)2 is Aluminum carbonitride-derived structured and crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form distorted MgO4 tetrahedra that share corners with six equivalent Fe(1)O6 octahedra and corners with two equivalent Hg(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-56°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Hg(2)O4 tetrahedra, and edges with two equivalent Fe(1)O6 octahedra. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Hg site, Hg(2) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form HgO4 tetrahedra that share corners with six equivalent Fe(1)O6 octahedra and corners with two equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 60-68°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Fe(1), and one Hg(1) atom. In the second O site, O(2) is bonded to one Fe(1), two equivalent Fe(2), and one Hg(1) atom to form OFe3Hg tetrahedra that share  a cornercorner with one O(2)Fe3Hg tetrahedra, corners with four equivalent O(4)Fe3Hg tetrahedra, corners with five equivalent O(3)MgFe3Hg trigonal bipyramids, and  an edgeedge with one O(2)Fe3Hg tetrahedra. In the third O site, O(3) is bonded to one Mg(1), one Fe(1), two equivalent Fe(2), and one Hg(2) atom to form distorted OMgFe3Hg trigonal bipyramids that share corners with two equivalent O(4)Fe3Hg tetrahedra, corners with five equivalent O(2)Fe3Hg tetrahedra,  a cornercorner with one O(3)MgFe3Hg trigonal bipyramid, edges with two equivalent O(4)Fe3Hg tetrahedra, and  a faceface with one O(3)MgFe3Hg trigonal bipyramid. In the fourth O site, O(4) is bonded to one Fe(2), two equivalent Fe(1), and one Hg(2) atom to form distorted OFe3Hg tetrahedra that share  a cornercorner with one O(4)Fe3Hg tetrahedra, corners with four equivalent O(2)Fe3Hg tetrahedra, corners with two equivalent O(3)MgFe3Hg trigonal bipyramids,  an edgeedge with one O(4)Fe3Hg tetrahedra, and edges with two equivalent O(3)MgFe3Hg trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgFe4(HgO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.228
_cell_length_b   6.557
_cell_length_c   6.557
_cell_angle_alpha   58.852
_cell_angle_beta   61.646
_cell_angle_gamma   61.646
_symmetry_Int_Tables_number   1
_cell_volume   192.138
_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  0.900  0.350  0.350  1.0
  Fe  Fe1  1  0.503  0.487  0.006  1.0
  Fe  Fe2  1  0.503  0.006  0.487  1.0
  Fe  Fe3  1  0.983  0.547  0.547  1.0
  Fe  Fe4  1  0.424  0.547  0.547  1.0
  Hg  Hg5  1  0.201  0.049  0.049  1.0
  Hg  Hg6  1  0.848  0.902  0.902  1.0
  O  O7  1  0.282  0.242  0.242  1.0
  O  O8  1  0.733  0.242  0.242  1.0
  O  O9  1  0.289  0.661  0.261  1.0
  O  O10  1  0.289  0.261  0.661  1.0
  O  O11  1  0.723  0.730  0.323  1.0
  O  O12  1  0.723  0.323  0.730  1.0
  O  O13  1  0.706  0.753  0.753  1.0
  O  O14  1  0.288  0.753  0.753  1.0
[/CIF]
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The material described by MgFe4(HgO4)2 is Aluminum carbonitride-derived structured and crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form distorted MgO4 tetrahedra that share corners with six equivalent Fe(1)O6 octahedra and corners with two equivalent Hg(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-56°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Hg(2)O4 tetrahedra, and edges with two equivalent Fe(1)O6 octahedra. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Hg site, Hg(2) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form HgO4 tetrahedra that share corners with six equivalent Fe(1)O6 octahedra and corners with two equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 60-68°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Fe(1), and one Hg(1) atom. In the second O site, O(2) is bonded to one Fe(1), two equivalent Fe(2), and one Hg(1) atom to form OFe3Hg tetrahedra that share  a cornercorner with one O(2)Fe3Hg tetrahedra, corners with four equivalent O(4)Fe3Hg tetrahedra, corners with five equivalent O(3)MgFe3Hg trigonal bipyramids, and  an edgeedge with one O(2)Fe3Hg tetrahedra. In the third O site, O(3) is bonded to one Mg(1), one Fe(1), two equivalent Fe(2), and one Hg(2) atom to form distorted OMgFe3Hg trigonal bipyramids that share corners with two equivalent O(4)Fe3Hg tetrahedra, corners with five equivalent O(2)Fe3Hg tetrahedra,  a cornercorner with one O(3)MgFe3Hg trigonal bipyramid, edges with two equivalent O(4)Fe3Hg tetrahedra, and  a faceface with one O(3)MgFe3Hg trigonal bipyramid. In the fourth O site, O(4) is bonded to one Fe(2), two equivalent Fe(1), and one Hg(2) atom to form distorted OFe3Hg tetrahedra that share  a cornercorner with one O(4)Fe3Hg tetrahedra, corners with four equivalent O(2)Fe3Hg tetrahedra, corners with two equivalent O(3)MgFe3Hg trigonal bipyramids,  an edgeedge with one O(4)Fe3Hg tetrahedra, and edges with two equivalent O(3)MgFe3Hg trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgFe4(HgO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.228
_cell_length_b   6.557
_cell_length_c   6.557
_cell_angle_alpha   58.852
_cell_angle_beta   61.646
_cell_angle_gamma   61.646
_symmetry_Int_Tables_number   1
_cell_volume   192.138
_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  0.900  0.350  0.350  1.0
  Fe  Fe1  1  0.503  0.487  0.006  1.0
  Fe  Fe2  1  0.503  0.006  0.487  1.0
  Fe  Fe3  1  0.983  0.547  0.547  1.0
  Fe  Fe4  1  0.424  0.547  0.547  1.0
  Hg  Hg5  1  0.201  0.049  0.049  1.0
  Hg  Hg6  1  0.848  0.902  0.902  1.0
  O  O7  1  0.282  0.242  0.242  1.0
  O  O8  1  0.733  0.242  0.242  1.0
  O  O9  1  0.289  0.661  0.261  1.0
  O  O10  1  0.289  0.261  0.661  1.0
  O  O11  1  0.723  0.730  0.323  1.0
  O  O12  1  0.723  0.323  0.730  1.0
  O  O13  1  0.706  0.753  0.753  1.0
  O  O14  1  0.288  0.753  0.753  1.0
[/CIF]
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