The material described by TlTeVO5 crystallizes in the orthorhombic Pna2_1 space group. V(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms. Tl(1) is bonded in a 5-coordinate geometry to one O(5), two equivalent O(1), and two equivalent O(2) atoms. Te(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(5), and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to two equivalent V(1) and two equivalent Tl(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to one V(1), two equivalent Tl(1), and one Te(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one V(1) and one Te(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent Te(1) atoms. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one V(1), one Tl(1), and one Te(1) atom. is represented by the CIF card [CIF]
data_TlVTeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.387
_cell_length_b   7.938
_cell_length_c   8.819
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   517.127
_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
  Tl  Tl0  1  0.976  0.902  0.108  1.0
  Tl  Tl1  1  0.476  0.902  0.392  1.0
  Tl  Tl2  1  0.524  0.402  0.608  1.0
  Tl  Tl3  1  0.024  0.402  0.892  1.0
  V  V4  1  0.278  0.786  0.758  1.0
  V  V5  1  0.222  0.286  0.258  1.0
  V  V6  1  0.778  0.786  0.742  1.0
  V  V7  1  0.722  0.286  0.242  1.0
  Te  Te8  1  0.977  0.097  0.533  1.0
  Te  Te9  1  0.023  0.597  0.467  1.0
  Te  Te10  1  0.523  0.597  0.033  1.0
  Te  Te11  1  0.477  0.097  0.967  1.0
  O  O12  1  0.936  0.259  0.175  1.0
  O  O13  1  0.128  0.051  0.365  1.0
  O  O14  1  0.064  0.759  0.825  1.0
  O  O15  1  0.872  0.551  0.635  1.0
  O  O16  1  0.275  0.982  0.682  1.0
  O  O17  1  0.564  0.759  0.675  1.0
  O  O18  1  0.899  0.860  0.551  1.0
  O  O19  1  0.225  0.482  0.182  1.0
  O  O20  1  0.436  0.259  0.325  1.0
  O  O21  1  0.601  0.360  0.051  1.0
  O  O22  1  0.255  0.150  0.078  1.0
  O  O23  1  0.372  0.551  0.865  1.0
  O  O24  1  0.745  0.650  0.922  1.0
  O  O25  1  0.399  0.860  0.949  1.0
  O  O26  1  0.755  0.150  0.422  1.0
  O  O27  1  0.725  0.482  0.318  1.0
  O  O28  1  0.628  0.051  0.135  1.0
  O  O29  1  0.775  0.982  0.818  1.0
  O  O30  1  0.245  0.650  0.578  1.0
  O  O31  1  0.101  0.360  0.449  1.0
[/CIF]
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The material described by TlTeVO5 crystallizes in the orthorhombic Pna2_1 space group. V(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms. Tl(1) is bonded in a 5-coordinate geometry to one O(5), two equivalent O(1), and two equivalent O(2) atoms. Te(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(5), and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to two equivalent V(1) and two equivalent Tl(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to one V(1), two equivalent Tl(1), and one Te(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one V(1) and one Te(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent Te(1) atoms. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one V(1), one Tl(1), and one Te(1) atom. is represented by the CIF card [CIF]
data_TlVTeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.387
_cell_length_b   7.938
_cell_length_c   8.819
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   517.127
_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
  Tl  Tl0  1  0.976  0.902  0.108  1.0
  Tl  Tl1  1  0.476  0.902  0.392  1.0
  Tl  Tl2  1  0.524  0.402  0.608  1.0
  Tl  Tl3  1  0.024  0.402  0.892  1.0
  V  V4  1  0.278  0.786  0.758  1.0
  V  V5  1  0.222  0.286  0.258  1.0
  V  V6  1  0.778  0.786  0.742  1.0
  V  V7  1  0.722  0.286  0.242  1.0
  Te  Te8  1  0.977  0.097  0.533  1.0
  Te  Te9  1  0.023  0.597  0.467  1.0
  Te  Te10  1  0.523  0.597  0.033  1.0
  Te  Te11  1  0.477  0.097  0.967  1.0
  O  O12  1  0.936  0.259  0.175  1.0
  O  O13  1  0.128  0.051  0.365  1.0
  O  O14  1  0.064  0.759  0.825  1.0
  O  O15  1  0.872  0.551  0.635  1.0
  O  O16  1  0.275  0.982  0.682  1.0
  O  O17  1  0.564  0.759  0.675  1.0
  O  O18  1  0.899  0.860  0.551  1.0
  O  O19  1  0.225  0.482  0.182  1.0
  O  O20  1  0.436  0.259  0.325  1.0
  O  O21  1  0.601  0.360  0.051  1.0
  O  O22  1  0.255  0.150  0.078  1.0
  O  O23  1  0.372  0.551  0.865  1.0
  O  O24  1  0.745  0.650  0.922  1.0
  O  O25  1  0.399  0.860  0.949  1.0
  O  O26  1  0.755  0.150  0.422  1.0
  O  O27  1  0.725  0.482  0.318  1.0
  O  O28  1  0.628  0.051  0.135  1.0
  O  O29  1  0.775  0.982  0.818  1.0
  O  O30  1  0.245  0.650  0.578  1.0
  O  O31  1  0.101  0.360  0.449  1.0
[/CIF]
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