The crystal structure described by Tl(NbTe)O6 crystallizes in the orthorhombic Ima2 space group. The structure consists of four 7440-28-0 atoms inside a NbTeO6 framework. In the NbTeO6 framework, Nb(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form NbO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra and corners with four equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-44°. Te(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form TeO6 octahedra that share corners with two equivalent Te(1)O6 octahedra and corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-45°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Te(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Nb(1) and one Te(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Nb(1) and one Te(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbTlTeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.386
_cell_length_b   7.386
_cell_length_c   7.386
_cell_angle_alpha   120.526
_cell_angle_beta   118.615
_cell_angle_gamma   90.753
_symmetry_Int_Tables_number   1
_cell_volume   286.675
_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
  Nb  Nb0  1  0.990  0.010  0.480  1.0
  Nb  Nb1  1  0.470  0.990  0.980  1.0
  Tl  Tl2  1  0.789  0.606  0.683  1.0
  Tl  Tl3  1  0.077  0.394  0.183  1.0
  Te  Te4  1  0.503  0.500  0.003  1.0
  Te  Te5  1  0.503  0.000  0.503  1.0
  O  O6  1  0.578  0.323  0.756  1.0
  O  O7  1  0.181  0.933  0.748  1.0
  O  O8  1  0.196  0.324  0.765  1.0
  O  O9  1  0.565  0.932  0.743  1.0
  O  O10  1  0.196  0.931  0.373  1.0
  O  O11  1  0.565  0.323  0.134  1.0
  O  O12  1  0.433  0.677  0.256  1.0
  O  O13  1  0.815  0.067  0.248  1.0
  O  O14  1  0.811  0.677  0.243  1.0
  O  O15  1  0.442  0.069  0.265  1.0
  O  O16  1  0.811  0.068  0.634  1.0
  O  O17  1  0.442  0.676  0.873  1.0
[/CIF]
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The crystal structure described by Tl(NbTe)O6 crystallizes in the orthorhombic Ima2 space group. The structure consists of four 7440-28-0 atoms inside a NbTeO6 framework. In the NbTeO6 framework, Nb(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form NbO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra and corners with four equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-44°. Te(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form TeO6 octahedra that share corners with two equivalent Te(1)O6 octahedra and corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-45°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Te(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Nb(1) and one Te(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Nb(1) and one Te(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbTlTeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.386
_cell_length_b   7.386
_cell_length_c   7.386
_cell_angle_alpha   120.526
_cell_angle_beta   118.615
_cell_angle_gamma   90.753
_symmetry_Int_Tables_number   1
_cell_volume   286.675
_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
  Nb  Nb0  1  0.990  0.010  0.480  1.0
  Nb  Nb1  1  0.470  0.990  0.980  1.0
  Tl  Tl2  1  0.789  0.606  0.683  1.0
  Tl  Tl3  1  0.077  0.394  0.183  1.0
  Te  Te4  1  0.503  0.500  0.003  1.0
  Te  Te5  1  0.503  0.000  0.503  1.0
  O  O6  1  0.578  0.323  0.756  1.0
  O  O7  1  0.181  0.933  0.748  1.0
  O  O8  1  0.196  0.324  0.765  1.0
  O  O9  1  0.565  0.932  0.743  1.0
  O  O10  1  0.196  0.931  0.373  1.0
  O  O11  1  0.565  0.323  0.134  1.0
  O  O12  1  0.433  0.677  0.256  1.0
  O  O13  1  0.815  0.067  0.248  1.0
  O  O14  1  0.811  0.677  0.243  1.0
  O  O15  1  0.442  0.069  0.265  1.0
  O  O16  1  0.811  0.068  0.634  1.0
  O  O17  1  0.442  0.676  0.873  1.0
[/CIF]
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