The crystal structure described by VAg3HgO4 crystallizes in the triclinic P1 space group. V(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are three inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(4) atom. In the second Ag site, Ag(2) is bonded in a distorted trigonal non-coplanar geometry to one O(2), one O(3), and one O(4) atom. In the third Ag site, Ag(3) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(3), and one O(4) atom. Hg(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded to one V(1), one Ag(1), one Ag(3), and one Hg(1) atom to form distorted OVAg2Hg tetrahedra that share corners with three equivalent O(2)VAg2Hg tetrahedra, corners with three equivalent O(3)VAg2Hg tetrahedra, and corners with three equivalent O(4)VAg3 tetrahedra. In the second O site, O(2) is bonded to one V(1), one Ag(1), one Ag(2), and one Hg(1) atom to form distorted OVAg2Hg tetrahedra that share corners with three equivalent O(1)VAg2Hg tetrahedra, corners with three equivalent O(3)VAg2Hg tetrahedra, and corners with three equivalent O(4)VAg3 tetrahedra. In the third O site, O(3) is bonded to one V(1), one Ag(2), one Ag(3), and one Hg(1) atom to form distorted OVAg2Hg tetrahedra that share corners with three equivalent O(1)VAg2Hg tetrahedra, corners with three equivalent O(2)VAg2Hg tetrahedra, and corners with three equivalent O(4)VAg3 tetrahedra. In the fourth O site, O(4) is bonded to one V(1), one Ag(1), one Ag(2), and one Ag(3) atom to form distorted corner-sharing OVAg3 tetrahedra. is represented by the CIF file [CIF]
data_VAg3HgO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.763
_cell_length_b   5.997
_cell_length_c   6.023
_cell_angle_alpha   81.662
_cell_angle_beta   112.730
_cell_angle_gamma   112.895
_symmetry_Int_Tables_number   1
_cell_volume   146.181
_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
  V  V0  1  0.000  0.001  0.006  1.0
  Ag  Ag1  1  0.867  0.404  0.261  1.0
  Ag  Ag2  1  0.393  0.259  0.590  1.0
  Ag  Ag3  1  0.539  0.739  0.403  1.0
  Hg  Hg4  1  0.203  0.593  0.723  1.0
  O  O5  1  0.704  0.753  0.084  1.0
  O  O6  1  0.876  0.251  0.927  1.0
  O  O7  1  0.046  0.921  0.756  1.0
  O  O8  1  0.373  0.080  0.252  1.0
[/CIF]
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The crystal structure described by VAg3HgO4 crystallizes in the triclinic P1 space group. V(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are three inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(4) atom. In the second Ag site, Ag(2) is bonded in a distorted trigonal non-coplanar geometry to one O(2), one O(3), and one O(4) atom. In the third Ag site, Ag(3) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(3), and one O(4) atom. Hg(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded to one V(1), one Ag(1), one Ag(3), and one Hg(1) atom to form distorted OVAg2Hg tetrahedra that share corners with three equivalent O(2)VAg2Hg tetrahedra, corners with three equivalent O(3)VAg2Hg tetrahedra, and corners with three equivalent O(4)VAg3 tetrahedra. In the second O site, O(2) is bonded to one V(1), one Ag(1), one Ag(2), and one Hg(1) atom to form distorted OVAg2Hg tetrahedra that share corners with three equivalent O(1)VAg2Hg tetrahedra, corners with three equivalent O(3)VAg2Hg tetrahedra, and corners with three equivalent O(4)VAg3 tetrahedra. In the third O site, O(3) is bonded to one V(1), one Ag(2), one Ag(3), and one Hg(1) atom to form distorted OVAg2Hg tetrahedra that share corners with three equivalent O(1)VAg2Hg tetrahedra, corners with three equivalent O(2)VAg2Hg tetrahedra, and corners with three equivalent O(4)VAg3 tetrahedra. In the fourth O site, O(4) is bonded to one V(1), one Ag(1), one Ag(2), and one Ag(3) atom to form distorted corner-sharing OVAg3 tetrahedra. is represented by the CIF file [CIF]
data_VAg3HgO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.763
_cell_length_b   5.997
_cell_length_c   6.023
_cell_angle_alpha   81.662
_cell_angle_beta   112.730
_cell_angle_gamma   112.895
_symmetry_Int_Tables_number   1
_cell_volume   146.181
_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
  V  V0  1  0.000  0.001  0.006  1.0
  Ag  Ag1  1  0.867  0.404  0.261  1.0
  Ag  Ag2  1  0.393  0.259  0.590  1.0
  Ag  Ag3  1  0.539  0.739  0.403  1.0
  Hg  Hg4  1  0.203  0.593  0.723  1.0
  O  O5  1  0.704  0.753  0.084  1.0
  O  O6  1  0.876  0.251  0.927  1.0
  O  O7  1  0.046  0.921  0.756  1.0
  O  O8  1  0.373  0.080  0.252  1.0
[/CIF]
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