The compound described by Hg2V2O7 crystallizes in the orthorhombic Pnma space group. The structure consists of four hydrogen peroxide molecules inside a V2Hg2O5 framework. In the V2Hg2O5 framework, there are two inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(5), and two equivalent O(6) atoms. In the second V site, V(2) is bonded in a 4-coordinate geometry to one Hg(1), one O(6), and three equivalent O(2) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted single-bond geometry to one V(2) atom. In the second Hg site, Hg(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(3) and two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent V(2) atoms. In the second O site, O(3) is bonded to one V(1), two equivalent Hg(2), and one O(4) atom to form distorted corner-sharing OVHg2O tetrahedra. In the third O site, O(4) is bonded in a 2-coordinate geometry to one V(1) and one O(3) atom. In the fourth O site, O(5) is bonded in a rectangular see-saw-like geometry to two equivalent V(1) and two equivalent Hg(2) atoms. In the fifth O site, O(6) is bonded in a trigonal planar geometry to one V(2) and two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2Hg2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.457
_cell_length_b   19.266
_cell_length_c   12.002
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   799.449
_cell_formula_units_Z   4
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  V0  1  0.250  0.702  0.465  1.0
  V  V1  1  0.750  0.048  0.067  1.0
  V  V2  1  0.250  0.452  0.567  1.0
  V  V3  1  0.250  0.952  0.933  1.0
  V  V4  1  0.750  0.798  0.965  1.0
  V  V5  1  0.750  0.548  0.433  1.0
  V  V6  1  0.750  0.298  0.535  1.0
  V  V7  1  0.250  0.202  0.035  1.0
  Hg  Hg8  1  0.250  0.404  0.800  1.0
  Hg  Hg9  1  0.750  0.596  0.200  1.0
  Hg  Hg10  1  0.250  0.904  0.700  1.0
  Hg  Hg11  1  0.750  0.096  0.300  1.0
  Hg  Hg12  1  0.250  0.291  0.233  1.0
  Hg  Hg13  1  0.250  0.791  0.267  1.0
  Hg  Hg14  1  0.750  0.209  0.733  1.0
  Hg  Hg15  1  0.750  0.709  0.767  1.0
  O  O16  1  0.250  0.483  0.114  1.0
  O  O17  1  0.750  0.491  0.577  1.0
  O  O18  1  0.250  0.710  0.634  1.0
  O  O19  1  0.250  0.777  0.574  1.0
  O  O20  1  0.250  0.252  0.623  1.0
  O  O21  1  0.250  0.361  0.516  1.0
  O  O22  1  0.750  0.790  0.134  1.0
  O  O23  1  0.250  0.009  0.077  1.0
  O  O24  1  0.750  0.248  0.123  1.0
  O  O25  1  0.750  0.139  0.016  1.0
  O  O26  1  0.750  0.223  0.426  1.0
  O  O27  1  0.250  0.509  0.423  1.0
  O  O28  1  0.250  0.277  0.926  1.0
  O  O29  1  0.250  0.983  0.386  1.0
  O  O30  1  0.750  0.517  0.886  1.0
  O  O31  1  0.750  0.575  0.935  1.0
  O  O32  1  0.750  0.075  0.565  1.0
  O  O33  1  0.750  0.723  0.074  1.0
  O  O34  1  0.750  0.290  0.366  1.0
  O  O35  1  0.250  0.210  0.866  1.0
  O  O36  1  0.750  0.639  0.484  1.0
  O  O37  1  0.250  0.861  0.984  1.0
  O  O38  1  0.250  0.925  0.435  1.0
  O  O39  1  0.750  0.017  0.614  1.0
  O  O40  1  0.250  0.752  0.877  1.0
  O  O41  1  0.250  0.425  0.065  1.0
  O  O42  1  0.750  0.748  0.377  1.0
  O  O43  1  0.750  0.991  0.923  1.0
[/CIF]
.
The compound described by Hg2V2O7 crystallizes in the orthorhombic Pnma space group. The structure consists of four hydrogen peroxide molecules inside a V2Hg2O5 framework. In the V2Hg2O5 framework, there are two inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(5), and two equivalent O(6) atoms. In the second V site, V(2) is bonded in a 4-coordinate geometry to one Hg(1), one O(6), and three equivalent O(2) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted single-bond geometry to one V(2) atom. In the second Hg site, Hg(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(3) and two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent V(2) atoms. In the second O site, O(3) is bonded to one V(1), two equivalent Hg(2), and one O(4) atom to form distorted corner-sharing OVHg2O tetrahedra. In the third O site, O(4) is bonded in a 2-coordinate geometry to one V(1) and one O(3) atom. In the fourth O site, O(5) is bonded in a rectangular see-saw-like geometry to two equivalent V(1) and two equivalent Hg(2) atoms. In the fifth O site, O(6) is bonded in a trigonal planar geometry to one V(2) and two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2Hg2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.457
_cell_length_b   19.266
_cell_length_c   12.002
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   799.449
_cell_formula_units_Z   4
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  V0  1  0.250  0.702  0.465  1.0
  V  V1  1  0.750  0.048  0.067  1.0
  V  V2  1  0.250  0.452  0.567  1.0
  V  V3  1  0.250  0.952  0.933  1.0
  V  V4  1  0.750  0.798  0.965  1.0
  V  V5  1  0.750  0.548  0.433  1.0
  V  V6  1  0.750  0.298  0.535  1.0
  V  V7  1  0.250  0.202  0.035  1.0
  Hg  Hg8  1  0.250  0.404  0.800  1.0
  Hg  Hg9  1  0.750  0.596  0.200  1.0
  Hg  Hg10  1  0.250  0.904  0.700  1.0
  Hg  Hg11  1  0.750  0.096  0.300  1.0
  Hg  Hg12  1  0.250  0.291  0.233  1.0
  Hg  Hg13  1  0.250  0.791  0.267  1.0
  Hg  Hg14  1  0.750  0.209  0.733  1.0
  Hg  Hg15  1  0.750  0.709  0.767  1.0
  O  O16  1  0.250  0.483  0.114  1.0
  O  O17  1  0.750  0.491  0.577  1.0
  O  O18  1  0.250  0.710  0.634  1.0
  O  O19  1  0.250  0.777  0.574  1.0
  O  O20  1  0.250  0.252  0.623  1.0
  O  O21  1  0.250  0.361  0.516  1.0
  O  O22  1  0.750  0.790  0.134  1.0
  O  O23  1  0.250  0.009  0.077  1.0
  O  O24  1  0.750  0.248  0.123  1.0
  O  O25  1  0.750  0.139  0.016  1.0
  O  O26  1  0.750  0.223  0.426  1.0
  O  O27  1  0.250  0.509  0.423  1.0
  O  O28  1  0.250  0.277  0.926  1.0
  O  O29  1  0.250  0.983  0.386  1.0
  O  O30  1  0.750  0.517  0.886  1.0
  O  O31  1  0.750  0.575  0.935  1.0
  O  O32  1  0.750  0.075  0.565  1.0
  O  O33  1  0.750  0.723  0.074  1.0
  O  O34  1  0.750  0.290  0.366  1.0
  O  O35  1  0.250  0.210  0.866  1.0
  O  O36  1  0.750  0.639  0.484  1.0
  O  O37  1  0.250  0.861  0.984  1.0
  O  O38  1  0.250  0.925  0.435  1.0
  O  O39  1  0.750  0.017  0.614  1.0
  O  O40  1  0.250  0.752  0.877  1.0
  O  O41  1  0.250  0.425  0.065  1.0
  O  O42  1  0.750  0.748  0.377  1.0
  O  O43  1  0.750  0.991  0.923  1.0
[/CIF]
.