The structure described by (Nb2TlO6)4Tl4O crystallizes in the monoclinic Cm space group. The structure consists of two Tl4O clusters inside a Nb2TlO6 framework. In each Tl4O cluster, there are three inequivalent Tl sites. In the first Tl site, Tl(3) is bonded in a distorted single-bond geometry to one O(9) atom. In the second Tl site, Tl(4) is bonded in a distorted single-bond geometry to one O(9) atom. In the third Tl site, Tl(2) is bonded in a distorted single-bond geometry to one O(9) atom. O(9) is bonded in a tetrahedral geometry to one Tl(3), one Tl(4), and two equivalent Tl(2) atoms. In the Nb2TlO6 framework, there are six inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(13), one O(15), one O(3), one O(6), and one O(7) atom to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 38-39°. In the second Nb site, Nb(2) is bonded to one O(10), one O(14), one O(16), one O(4), one O(5), and one O(8) atom to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 38-39°. In the third Nb site, Nb(3) is bonded to one O(11), one O(12), two equivalent O(14), and two equivalent O(8) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 38-39°. In the fourth Nb site, Nb(4) is bonded to one O(17), one O(2), two equivalent O(3), and two equivalent O(7) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 38-39°. In the fifth Nb site, Nb(5) is bonded to one O(11), one O(2), two equivalent O(1), and two equivalent O(4) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 38-39°. In the sixth Nb site, Nb(6) is bonded to one O(12), one O(17), two equivalent O(10), and two equivalent O(13) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 38-39°. There are three inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted hexagonal planar geometry to one O(1), one O(11), one O(2), one O(3), one O(4), and one O(8) atom. In the second Tl site, Tl(5) is bonded in a hexagonal planar geometry to one O(16), one O(6), two equivalent O(1), and two equivalent O(4) atoms. In the third Tl site, Tl(6) is bonded in a distorted hexagonal planar geometry to one O(16), one O(5), two equivalent O(14), and two equivalent O(8) atoms. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Nb(1), one Nb(5), one Tl(1), and one Tl(5) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Nb(4), one Nb(5), and two equivalent Tl(1) atoms. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Nb(1), one Nb(4), and one Tl(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Nb(2), one Nb(5), one Tl(1), and one Tl(5) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to two equivalent Nb(2) and one Tl(6) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to two equivalent Nb(1) and one Tl(5) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Nb(1) and one Nb(4) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Nb(2), one Nb(3), one Tl(1), and one Tl(6) atom. In the ninth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Nb(2) and one Nb(6) atom. In the tenth O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Nb(3), one Nb(5), and two equivalent Tl(1) atoms. In the eleventh O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Nb(3) and one Nb(6) atom. In the twelfth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Nb(1) and one Nb(6) atom. In the thirteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one Nb(2), one Nb(3), and one Tl(6) atom. In the fourteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to two equivalent Nb(1) atoms. In the fifteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to two equivalent Nb(2), one Tl(5), and one Tl(6) atom. In the sixteenth O site, O(17) is bonded in a distorted bent 150 degrees geometry to one Nb(4) and one Nb(6) atom. is represented by the CIF file [CIF]
data_Nb8Tl8O25
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.648
_cell_length_b   7.648
_cell_length_c   13.234
_cell_angle_alpha   73.214
_cell_angle_beta   73.214
_cell_angle_gamma   60.021
_symmetry_Int_Tables_number   1
_cell_volume   632.053
_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
  Nb  Nb0  1  0.000  0.501  1.000  1.0
  Nb  Nb1  1  0.001  0.500  0.500  1.0
  Nb  Nb2  1  0.501  0.000  1.000  1.0
  Nb  Nb3  1  0.500  0.500  0.500  1.0
  Nb  Nb4  1  0.000  0.000  1.000  1.0
  Nb  Nb5  1  0.750  0.750  0.250  1.0
  Nb  Nb6  1  0.500  0.001  0.500  1.0
  Nb  Nb7  1  0.250  0.250  0.749  1.0
  Tl  Tl8  1  0.261  0.729  0.245  1.0
  Tl  Tl9  1  0.243  0.754  0.749  1.0
  Tl  Tl10  1  0.754  0.754  0.750  1.0
  Tl  Tl11  1  0.498  0.498  0.003  1.0
  Tl  Tl12  1  0.235  0.235  0.255  1.0
  Tl  Tl13  1  0.995  0.995  0.513  1.0
  Tl  Tl14  1  0.729  0.261  0.245  1.0
  Tl  Tl15  1  0.754  0.243  0.749  1.0
  O  O16  1  0.904  0.534  0.155  1.0
  O  O17  1  0.906  0.906  0.156  1.0
  O  O18  1  0.281  0.909  0.030  1.0
  O  O19  1  0.967  0.593  0.344  1.0
  O  O20  1  0.780  0.780  0.531  1.0
  O  O21  1  0.281  0.281  0.031  1.0
  O  O22  1  0.093  0.719  0.969  1.0
  O  O23  1  0.534  0.904  0.155  1.0
  O  O24  1  0.220  0.591  0.469  1.0
  O  O25  1  0.562  0.562  0.813  1.0
  O  O26  1  0.406  0.032  0.656  1.0
  O  O27  1  0.591  0.220  0.469  1.0
  O  O28  1  0.595  0.595  0.345  1.0
  O  O29  1  0.406  0.406  0.656  1.0
  O  O30  1  0.467  0.094  0.844  1.0
  O  O31  1  0.909  0.281  0.030  1.0
  O  O32  1  0.593  0.967  0.344  1.0
  O  O33  1  0.780  0.409  0.531  1.0
  O  O34  1  0.409  0.780  0.531  1.0
  O  O35  1  0.719  0.719  0.969  1.0
  O  O36  1  0.220  0.220  0.470  1.0
  O  O37  1  0.032  0.406  0.656  1.0
  O  O38  1  0.719  0.093  0.969  1.0
  O  O39  1  0.094  0.094  0.844  1.0
  O  O40  1  0.094  0.467  0.844  1.0
[/CIF]
.
The structure described by (Nb2TlO6)4Tl4O crystallizes in the monoclinic Cm space group. The structure consists of two Tl4O clusters inside a Nb2TlO6 framework. In each Tl4O cluster, there are three inequivalent Tl sites. In the first Tl site, Tl(3) is bonded in a distorted single-bond geometry to one O(9) atom. In the second Tl site, Tl(4) is bonded in a distorted single-bond geometry to one O(9) atom. In the third Tl site, Tl(2) is bonded in a distorted single-bond geometry to one O(9) atom. O(9) is bonded in a tetrahedral geometry to one Tl(3), one Tl(4), and two equivalent Tl(2) atoms. In the Nb2TlO6 framework, there are six inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(13), one O(15), one O(3), one O(6), and one O(7) atom to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 38-39°. In the second Nb site, Nb(2) is bonded to one O(10), one O(14), one O(16), one O(4), one O(5), and one O(8) atom to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 38-39°. In the third Nb site, Nb(3) is bonded to one O(11), one O(12), two equivalent O(14), and two equivalent O(8) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 38-39°. In the fourth Nb site, Nb(4) is bonded to one O(17), one O(2), two equivalent O(3), and two equivalent O(7) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 38-39°. In the fifth Nb site, Nb(5) is bonded to one O(11), one O(2), two equivalent O(1), and two equivalent O(4) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 38-39°. In the sixth Nb site, Nb(6) is bonded to one O(12), one O(17), two equivalent O(10), and two equivalent O(13) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 38-39°. There are three inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted hexagonal planar geometry to one O(1), one O(11), one O(2), one O(3), one O(4), and one O(8) atom. In the second Tl site, Tl(5) is bonded in a hexagonal planar geometry to one O(16), one O(6), two equivalent O(1), and two equivalent O(4) atoms. In the third Tl site, Tl(6) is bonded in a distorted hexagonal planar geometry to one O(16), one O(5), two equivalent O(14), and two equivalent O(8) atoms. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Nb(1), one Nb(5), one Tl(1), and one Tl(5) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Nb(4), one Nb(5), and two equivalent Tl(1) atoms. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Nb(1), one Nb(4), and one Tl(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Nb(2), one Nb(5), one Tl(1), and one Tl(5) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to two equivalent Nb(2) and one Tl(6) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to two equivalent Nb(1) and one Tl(5) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Nb(1) and one Nb(4) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Nb(2), one Nb(3), one Tl(1), and one Tl(6) atom. In the ninth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Nb(2) and one Nb(6) atom. In the tenth O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Nb(3), one Nb(5), and two equivalent Tl(1) atoms. In the eleventh O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Nb(3) and one Nb(6) atom. In the twelfth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Nb(1) and one Nb(6) atom. In the thirteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one Nb(2), one Nb(3), and one Tl(6) atom. In the fourteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to two equivalent Nb(1) atoms. In the fifteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to two equivalent Nb(2), one Tl(5), and one Tl(6) atom. In the sixteenth O site, O(17) is bonded in a distorted bent 150 degrees geometry to one Nb(4) and one Nb(6) atom. is represented by the CIF file [CIF]
data_Nb8Tl8O25
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.648
_cell_length_b   7.648
_cell_length_c   13.234
_cell_angle_alpha   73.214
_cell_angle_beta   73.214
_cell_angle_gamma   60.021
_symmetry_Int_Tables_number   1
_cell_volume   632.053
_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
  Nb  Nb0  1  0.000  0.501  1.000  1.0
  Nb  Nb1  1  0.001  0.500  0.500  1.0
  Nb  Nb2  1  0.501  0.000  1.000  1.0
  Nb  Nb3  1  0.500  0.500  0.500  1.0
  Nb  Nb4  1  0.000  0.000  1.000  1.0
  Nb  Nb5  1  0.750  0.750  0.250  1.0
  Nb  Nb6  1  0.500  0.001  0.500  1.0
  Nb  Nb7  1  0.250  0.250  0.749  1.0
  Tl  Tl8  1  0.261  0.729  0.245  1.0
  Tl  Tl9  1  0.243  0.754  0.749  1.0
  Tl  Tl10  1  0.754  0.754  0.750  1.0
  Tl  Tl11  1  0.498  0.498  0.003  1.0
  Tl  Tl12  1  0.235  0.235  0.255  1.0
  Tl  Tl13  1  0.995  0.995  0.513  1.0
  Tl  Tl14  1  0.729  0.261  0.245  1.0
  Tl  Tl15  1  0.754  0.243  0.749  1.0
  O  O16  1  0.904  0.534  0.155  1.0
  O  O17  1  0.906  0.906  0.156  1.0
  O  O18  1  0.281  0.909  0.030  1.0
  O  O19  1  0.967  0.593  0.344  1.0
  O  O20  1  0.780  0.780  0.531  1.0
  O  O21  1  0.281  0.281  0.031  1.0
  O  O22  1  0.093  0.719  0.969  1.0
  O  O23  1  0.534  0.904  0.155  1.0
  O  O24  1  0.220  0.591  0.469  1.0
  O  O25  1  0.562  0.562  0.813  1.0
  O  O26  1  0.406  0.032  0.656  1.0
  O  O27  1  0.591  0.220  0.469  1.0
  O  O28  1  0.595  0.595  0.345  1.0
  O  O29  1  0.406  0.406  0.656  1.0
  O  O30  1  0.467  0.094  0.844  1.0
  O  O31  1  0.909  0.281  0.030  1.0
  O  O32  1  0.593  0.967  0.344  1.0
  O  O33  1  0.780  0.409  0.531  1.0
  O  O34  1  0.409  0.780  0.531  1.0
  O  O35  1  0.719  0.719  0.969  1.0
  O  O36  1  0.220  0.220  0.470  1.0
  O  O37  1  0.032  0.406  0.656  1.0
  O  O38  1  0.719  0.093  0.969  1.0
  O  O39  1  0.094  0.094  0.844  1.0
  O  O40  1  0.094  0.467  0.844  1.0
[/CIF]
.