The crystal structure described by AgTl(VO3)2 is Esseneite structured and crystallizes in the monoclinic C2/c space group. V(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form VO4 tetrahedra that share corners with three equivalent Ag(1)O6 octahedra and corners with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 30-58°. Ag(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form AgO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra and edges with two equivalent Ag(1)O6 octahedra. Tl(1) is bonded in a 2-coordinate geometry to two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one V(1) and one Ag(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one V(1), two equivalent Ag(1), and one Tl(1) atom. is represented by the CIF card [CIF]
data_TlV2AgO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.605
_cell_length_b   7.605
_cell_length_c   5.989
_cell_angle_alpha   79.177
_cell_angle_beta   79.177
_cell_angle_gamma   87.018
_symmetry_Int_Tables_number   1
_cell_volume   334.084
_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
  Tl  Tl0  1  0.285  0.715  0.250  1.0
  Tl  Tl1  1  0.715  0.285  0.750  1.0
  V  V2  1  0.204  0.367  0.782  1.0
  V  V3  1  0.633  0.796  0.718  1.0
  V  V4  1  0.796  0.633  0.218  1.0
  V  V5  1  0.367  0.204  0.282  1.0
  Ag  Ag6  1  0.896  0.104  0.250  1.0
  Ag  Ag7  1  0.104  0.896  0.750  1.0
  O  O8  1  0.351  0.330  0.517  1.0
  O  O9  1  0.670  0.649  0.983  1.0
  O  O10  1  0.649  0.670  0.483  1.0
  O  O11  1  0.330  0.351  0.017  1.0
  O  O12  1  0.428  0.889  0.773  1.0
  O  O13  1  0.111  0.572  0.727  1.0
  O  O14  1  0.572  0.111  0.227  1.0
  O  O15  1  0.889  0.428  0.273  1.0
  O  O16  1  0.956  0.793  0.144  1.0
  O  O17  1  0.207  0.044  0.356  1.0
  O  O18  1  0.044  0.207  0.856  1.0
  O  O19  1  0.793  0.956  0.644  1.0
[/CIF]
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The crystal structure described by AgTl(VO3)2 is Esseneite structured and crystallizes in the monoclinic C2/c space group. V(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form VO4 tetrahedra that share corners with three equivalent Ag(1)O6 octahedra and corners with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 30-58°. Ag(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form AgO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra and edges with two equivalent Ag(1)O6 octahedra. Tl(1) is bonded in a 2-coordinate geometry to two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one V(1) and one Ag(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one V(1), two equivalent Ag(1), and one Tl(1) atom. is represented by the CIF card [CIF]
data_TlV2AgO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.605
_cell_length_b   7.605
_cell_length_c   5.989
_cell_angle_alpha   79.177
_cell_angle_beta   79.177
_cell_angle_gamma   87.018
_symmetry_Int_Tables_number   1
_cell_volume   334.084
_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
  Tl  Tl0  1  0.285  0.715  0.250  1.0
  Tl  Tl1  1  0.715  0.285  0.750  1.0
  V  V2  1  0.204  0.367  0.782  1.0
  V  V3  1  0.633  0.796  0.718  1.0
  V  V4  1  0.796  0.633  0.218  1.0
  V  V5  1  0.367  0.204  0.282  1.0
  Ag  Ag6  1  0.896  0.104  0.250  1.0
  Ag  Ag7  1  0.104  0.896  0.750  1.0
  O  O8  1  0.351  0.330  0.517  1.0
  O  O9  1  0.670  0.649  0.983  1.0
  O  O10  1  0.649  0.670  0.483  1.0
  O  O11  1  0.330  0.351  0.017  1.0
  O  O12  1  0.428  0.889  0.773  1.0
  O  O13  1  0.111  0.572  0.727  1.0
  O  O14  1  0.572  0.111  0.227  1.0
  O  O15  1  0.889  0.428  0.273  1.0
  O  O16  1  0.956  0.793  0.144  1.0
  O  O17  1  0.207  0.044  0.356  1.0
  O  O18  1  0.044  0.207  0.856  1.0
  O  O19  1  0.793  0.956  0.644  1.0
[/CIF]
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