The structure described by V2TlO13I3 crystallizes in the orthorhombic Ima2 space group. V(1) is bonded to one O(2), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form distorted corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 23-47°. Tl(1) is bonded in a single-bond geometry to one O(1) atom. There are eight inequivalent O sites. In the first O site, O(4) is bonded in a single-bond geometry to one I(2) atom. In the second O site, O(5) is bonded in a bent 120 degrees geometry to one V(1) and one I(2) atom. In the third O site, O(6) is bonded in a bent 120 degrees geometry to two equivalent V(1) atoms. In the fourth O site, O(7) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. In the fifth O site, O(8) is bonded in a single-bond geometry to one V(1) atom. In the sixth O site, O(1) is bonded in a single-bond geometry to one Tl(1) and one I(1) atom. In the seventh O site, O(2) is bonded in a distorted bent 150 degrees geometry to one V(1) and one I(1) atom. In the eighth O site, O(3) is bonded in a 3-coordinate geometry to one V(1), one I(1), and one I(2) atom. There are two inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second I site, I(2) is bonded in a 3-coordinate geometry to one O(3), one O(4), and one O(5) atom. is represented by the CIF card [CIF]
data_TlV2I3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.671
_cell_length_b   9.671
_cell_length_c   9.671
_cell_angle_alpha   129.671
_cell_angle_beta   114.142
_cell_angle_gamma   87.284
_symmetry_Int_Tables_number   1
_cell_volume   605.275
_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  0.641  0.624  0.765  1.0
  Tl  Tl1  1  0.359  0.124  0.983  1.0
  V  V2  1  0.612  0.973  0.328  1.0
  V  V3  1  0.388  0.716  0.361  1.0
  V  V4  1  0.855  0.216  0.328  1.0
  V  V5  1  0.145  0.473  0.361  1.0
  I  I6  1  0.972  0.343  0.814  1.0
  I  I7  1  0.028  0.843  0.371  1.0
  I  I8  1  0.265  0.626  0.872  1.0
  I  I9  1  0.735  0.607  0.361  1.0
  I  I10  1  0.746  0.107  0.872  1.0
  I  I11  1  0.254  0.126  0.361  1.0
  O  O12  1  0.904  0.545  0.950  1.0
  O  O13  1  0.096  0.045  0.641  1.0
  O  O14  1  0.771  0.159  0.633  1.0
  O  O15  1  0.229  0.862  0.388  1.0
  O  O16  1  0.974  0.362  0.633  1.0
  O  O17  1  0.026  0.659  0.388  1.0
  O  O18  1  0.246  0.578  0.022  1.0
  O  O19  1  0.754  0.776  0.332  1.0
  O  O20  1  0.944  0.276  0.022  1.0
  O  O21  1  0.056  0.078  0.332  1.0
  O  O22  1  0.193  0.828  0.958  1.0
  O  O23  1  0.807  0.765  0.635  1.0
  O  O24  1  0.630  0.265  0.958  1.0
  O  O25  1  0.370  0.328  0.635  1.0
  O  O26  1  0.488  0.746  0.032  1.0
  O  O27  1  0.512  0.544  0.258  1.0
  O  O28  1  0.786  0.044  0.032  1.0
  O  O29  1  0.214  0.246  0.258  1.0
  O  O30  1  0.766  0.014  0.279  1.0
  O  O31  1  0.234  0.514  0.248  1.0
  O  O32  1  0.500  0.889  0.389  1.0
  O  O33  1  0.000  0.389  0.389  1.0
  O  O34  1  0.513  0.119  0.330  1.0
  O  O35  1  0.487  0.816  0.605  1.0
  O  O36  1  0.711  0.316  0.330  1.0
  O  O37  1  0.289  0.619  0.605  1.0
[/CIF]
.
The structure described by V2TlO13I3 crystallizes in the orthorhombic Ima2 space group. V(1) is bonded to one O(2), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form distorted corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 23-47°. Tl(1) is bonded in a single-bond geometry to one O(1) atom. There are eight inequivalent O sites. In the first O site, O(4) is bonded in a single-bond geometry to one I(2) atom. In the second O site, O(5) is bonded in a bent 120 degrees geometry to one V(1) and one I(2) atom. In the third O site, O(6) is bonded in a bent 120 degrees geometry to two equivalent V(1) atoms. In the fourth O site, O(7) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. In the fifth O site, O(8) is bonded in a single-bond geometry to one V(1) atom. In the sixth O site, O(1) is bonded in a single-bond geometry to one Tl(1) and one I(1) atom. In the seventh O site, O(2) is bonded in a distorted bent 150 degrees geometry to one V(1) and one I(1) atom. In the eighth O site, O(3) is bonded in a 3-coordinate geometry to one V(1), one I(1), and one I(2) atom. There are two inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second I site, I(2) is bonded in a 3-coordinate geometry to one O(3), one O(4), and one O(5) atom. is represented by the CIF card [CIF]
data_TlV2I3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.671
_cell_length_b   9.671
_cell_length_c   9.671
_cell_angle_alpha   129.671
_cell_angle_beta   114.142
_cell_angle_gamma   87.284
_symmetry_Int_Tables_number   1
_cell_volume   605.275
_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  0.641  0.624  0.765  1.0
  Tl  Tl1  1  0.359  0.124  0.983  1.0
  V  V2  1  0.612  0.973  0.328  1.0
  V  V3  1  0.388  0.716  0.361  1.0
  V  V4  1  0.855  0.216  0.328  1.0
  V  V5  1  0.145  0.473  0.361  1.0
  I  I6  1  0.972  0.343  0.814  1.0
  I  I7  1  0.028  0.843  0.371  1.0
  I  I8  1  0.265  0.626  0.872  1.0
  I  I9  1  0.735  0.607  0.361  1.0
  I  I10  1  0.746  0.107  0.872  1.0
  I  I11  1  0.254  0.126  0.361  1.0
  O  O12  1  0.904  0.545  0.950  1.0
  O  O13  1  0.096  0.045  0.641  1.0
  O  O14  1  0.771  0.159  0.633  1.0
  O  O15  1  0.229  0.862  0.388  1.0
  O  O16  1  0.974  0.362  0.633  1.0
  O  O17  1  0.026  0.659  0.388  1.0
  O  O18  1  0.246  0.578  0.022  1.0
  O  O19  1  0.754  0.776  0.332  1.0
  O  O20  1  0.944  0.276  0.022  1.0
  O  O21  1  0.056  0.078  0.332  1.0
  O  O22  1  0.193  0.828  0.958  1.0
  O  O23  1  0.807  0.765  0.635  1.0
  O  O24  1  0.630  0.265  0.958  1.0
  O  O25  1  0.370  0.328  0.635  1.0
  O  O26  1  0.488  0.746  0.032  1.0
  O  O27  1  0.512  0.544  0.258  1.0
  O  O28  1  0.786  0.044  0.032  1.0
  O  O29  1  0.214  0.246  0.258  1.0
  O  O30  1  0.766  0.014  0.279  1.0
  O  O31  1  0.234  0.514  0.248  1.0
  O  O32  1  0.500  0.889  0.389  1.0
  O  O33  1  0.000  0.389  0.389  1.0
  O  O34  1  0.513  0.119  0.330  1.0
  O  O35  1  0.487  0.816  0.605  1.0
  O  O36  1  0.711  0.316  0.330  1.0
  O  O37  1  0.289  0.619  0.605  1.0
[/CIF]
.