data_SrHg3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHg3O
_chemical_formula_sum   'Sr1 Hg3 O1'
_cell_volume   131.91
_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
  Sr  Sr0  1  0.55  0.55  0.55  1.0
  Hg  Hg1  1  0.0  0.55  0.0  1.0
  Hg  Hg2  1  0.0  0.0  0.55  1.0
  Hg  Hg3  1  0.55  0.0  0.0  1.0
  O  O4  1  0.0  0.0  0.0  1.0

data_SrHg3O
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.2
_cell_length_b   7.2
_cell_length_c   8.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrHg3O
_chemical_formula_sum   'Sr3 Hg9 O3'
_cell_volume   395.72
_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
  Sr  Sr0  3  0.0  0.0  0.55  1.0
  Hg  Hg1  9  0.03  0.52  0.52  1.0
  O  O2  3  0.0  0.0  0.0  1.0

Sr Hg Hg Hg O
SrHg3O is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Sr(1) is bonded to twelve equivalent Hg(1) atoms to form a mixture of distorted corner and face-sharing SrHg12 cuboctahedra. There are a spread of Sr(1)-Hg(1) bond distances ranging from 3.27-3.93 Å. Hg(1) is bonded in a distorted single-bond geometry to four equivalent Sr(1) and one O(1) atom. The Hg(1)-O(1) bond length is 2.32 Å. O(1) is bonded in a 3-coordinate geometry to three equivalent Hg(1) atoms.