data_VHgO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98
_cell_length_b   5.98
_cell_length_c   5.98
_cell_angle_alpha   52.31
_cell_angle_beta   52.31
_cell_angle_gamma   52.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VHgO3
_chemical_formula_sum   'V2 Hg2 O6'
_cell_volume   123.64
_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
  V  V8  1  0.0  0.0  0.46  1.0
  V  V9  1  0.0  0.0  0.98  1.0
  Hg  Hg0  1  0.0  0.0  0.73  1.0
  Hg  Hg1  1  0.0  0.0  0.7  1.0
  O  O2  1  0.93  0.21  0.63  1.0
  O  O3  1  0.08  0.96  0.63  1.0
  O  O4  1  0.99  0.82  0.63  1.0
  O  O5  1  0.01  0.18  0.8  1.0
  O  O6  1  0.92  0.04  0.8  1.0
  O  O7  1  0.07  0.79  0.8  1.0

data_VHgO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.98
_cell_angle_alpha   63.85
_cell_angle_beta   63.85
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   VHgO3
_chemical_formula_sum   'V2 Hg2 O6'
_cell_volume   123.64
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  V  V0  2  0.0  0.26  0.24  1.0
  Hg  Hg1  2  0.0  0.01  0.49  1.0
  O  O2  2  0.04  0.09  0.46  1.0
  O  O3  2  0.18  0.09  0.23  1.0
  O  O4  2  0.21  0.91  0.45  1.0

V V Hg Hg O O O O O O
V V Hg Hg O O O O O O 0 6 - - o 1 7 o o o 2 3 o o o 2 4 - o o 2 8 - o o 2 9 o - o 3 4 - o o 3 5 o - o 3 9 o - o 4 8 o o o 5 9 o o o 
HgVO3 is Copper structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one HgVO3 cluster. V(1) is bonded in a 2-coordinate geometry to one O(2) and one O(3) atom. The V(1)-O(2) bond length is 1.25 Å. The V(1)-O(3) bond length is 0.92 Å. Hg(1) is bonded in a bent 120 degrees geometry to one Hg(1), one O(2), and two equivalent O(1) atoms. The Hg(1)-Hg(1) bond length is 0.17 Å. The Hg(1)-O(2) bond length is 0.46 Å. Both Hg(1)-O(1) bond lengths are 0.94 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Hg(1) atoms. In the second O site, O(2) is bonded in a single-bond geometry to one V(1) and one Hg(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one V(1) atom.