data_InHg3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InHg3O
_chemical_formula_sum   'In1 Hg3 O1'
_cell_volume   120.78
_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
  In  In4  1  0.47  0.47  0.47  1.0
  Hg  Hg0  1  0.0  0.47  0.0  1.0
  Hg  Hg1  1  0.0  0.0  0.47  1.0
  Hg  Hg2  1  0.47  0.0  0.0  1.0
  O  O3  1  0.0  0.0  0.0  1.0

data_InHg3O
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.99
_cell_length_b   6.99
_cell_length_c   8.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   InHg3O
_chemical_formula_sum   'In3 Hg9 O3'
_cell_volume   362.34
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  In  In0  3  0.0  0.0  0.47  1.0
  Hg  Hg1  9  0.18  0.35  0.82  1.0
  O  O2  3  0.0  0.0  0.0  1.0

In Hg Hg Hg O
In Hg Hg Hg O 0 4 o o o 0 2 o o o 0 2 o + o 0 2 + o o 0 2 + + o 0 1 o o o 0 1 o o + 0 1 + o o 0 1 + o + 0 3 o o o 0 3 o o + 0 3 o + o 0 3 o + + 1 4 o o o 1 4 o + o 2 4 o o o 2 4 o o + 3 4 o o o 3 4 + o o 
Hg3InO is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Hg(1) is bonded in a distorted linear geometry to one In(1) and two equivalent O(1) atoms. The Hg(1)-In(1) bond length is 3.30 Å. There is one shorter (2.33 Å) and one longer (2.61 Å) Hg(1)-O(1) bond length. In(1) is bonded in a 3-coordinate geometry to three equivalent Hg(1) atoms. O(1) is bonded to six equivalent Hg(1) atoms to form corner-sharing OHg6 octahedra. The corner-sharing octahedra are not tilted.