The material structure described by Mn2Hg2O7 crystallizes in the cubic Fd-3m space group. Mn(1) is bonded to six equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra and edges with six equivalent Hg(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 44°. Hg(1) is bonded to two equivalent O(2) and six equivalent O(1) atoms to form distorted HgO8 hexagonal bipyramids that share edges with six equivalent Hg(1)O8 hexagonal bipyramids and edges with six equivalent Mn(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Mn(1) and two equivalent Hg(1) atoms. In the second O site, O(2) is bonded to four equivalent Hg(1) atoms to form corner-sharing OHg4 tetrahedra. is represented by the CIF file [CIF]
data_Mn2Hg2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.177
_cell_length_b   7.177
_cell_length_c   7.177
_cell_angle_alpha   59.997
_cell_angle_beta   59.998
_cell_angle_gamma   59.996
_symmetry_Int_Tables_number   1
_cell_volume   261.367
_cell_formula_units_Z   2
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
  Mn  Mn0  1  0.000  1.000  0.000  1.0
  Mn  Mn1  1  0.500  0.000  1.000  1.0
  Mn  Mn2  1  1.000  0.000  0.500  1.0
  Mn  Mn3  1  0.000  0.500  1.000  1.0
  Hg  Hg4  1  0.500  0.000  0.500  1.0
  Hg  Hg5  1  0.500  0.500  0.000  1.0
  Hg  Hg6  1  1.000  0.500  0.500  1.0
  Hg  Hg7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.679  0.071  0.071  1.0
  O  O9  1  0.929  0.321  0.321  1.0
  O  O10  1  0.071  0.071  0.679  1.0
  O  O11  1  0.679  0.679  0.071  1.0
  O  O12  1  0.375  0.375  0.375  1.0
  O  O13  1  0.679  0.071  0.679  1.0
  O  O14  1  0.071  0.679  0.071  1.0
  O  O15  1  0.321  0.929  0.321  1.0
  O  O16  1  0.929  0.929  0.321  1.0
  O  O17  1  0.321  0.321  0.929  1.0
  O  O18  1  0.625  0.625  0.625  1.0
  O  O19  1  0.929  0.321  0.929  1.0
  O  O20  1  0.071  0.679  0.679  1.0
  O  O21  1  0.321  0.929  0.929  1.0
[/CIF]
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The material structure described by Mn2Hg2O7 crystallizes in the cubic Fd-3m space group. Mn(1) is bonded to six equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra and edges with six equivalent Hg(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 44°. Hg(1) is bonded to two equivalent O(2) and six equivalent O(1) atoms to form distorted HgO8 hexagonal bipyramids that share edges with six equivalent Hg(1)O8 hexagonal bipyramids and edges with six equivalent Mn(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Mn(1) and two equivalent Hg(1) atoms. In the second O site, O(2) is bonded to four equivalent Hg(1) atoms to form corner-sharing OHg4 tetrahedra. is represented by the CIF file [CIF]
data_Mn2Hg2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.177
_cell_length_b   7.177
_cell_length_c   7.177
_cell_angle_alpha   59.997
_cell_angle_beta   59.998
_cell_angle_gamma   59.996
_symmetry_Int_Tables_number   1
_cell_volume   261.367
_cell_formula_units_Z   2
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
  Mn  Mn0  1  0.000  1.000  0.000  1.0
  Mn  Mn1  1  0.500  0.000  1.000  1.0
  Mn  Mn2  1  1.000  0.000  0.500  1.0
  Mn  Mn3  1  0.000  0.500  1.000  1.0
  Hg  Hg4  1  0.500  0.000  0.500  1.0
  Hg  Hg5  1  0.500  0.500  0.000  1.0
  Hg  Hg6  1  1.000  0.500  0.500  1.0
  Hg  Hg7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.679  0.071  0.071  1.0
  O  O9  1  0.929  0.321  0.321  1.0
  O  O10  1  0.071  0.071  0.679  1.0
  O  O11  1  0.679  0.679  0.071  1.0
  O  O12  1  0.375  0.375  0.375  1.0
  O  O13  1  0.679  0.071  0.679  1.0
  O  O14  1  0.071  0.679  0.071  1.0
  O  O15  1  0.321  0.929  0.321  1.0
  O  O16  1  0.929  0.929  0.321  1.0
  O  O17  1  0.321  0.321  0.929  1.0
  O  O18  1  0.625  0.625  0.625  1.0
  O  O19  1  0.929  0.321  0.929  1.0
  O  O20  1  0.071  0.679  0.679  1.0
  O  O21  1  0.321  0.929  0.929  1.0
[/CIF]
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