The crystal structure described by NbV2TlO8 crystallizes in the orthorhombic Pnma space group. Nb(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form NbO6 octahedra that share corners with three equivalent V(1)O4 tetrahedra and corners with three equivalent V(2)O4 tetrahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(5), and two equivalent O(1) atoms to form VO4 tetrahedra that share corners with three equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-37°. In the second V site, V(2) is bonded to one O(4), one O(6), and two equivalent O(2) atoms to form VO4 tetrahedra that share corners with three equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-30°. Tl(1) is bonded in a single-bond geometry to one O(5) atom. There are six inequivalent O sites. In the first O site, O(3) is bonded in a bent 150 degrees geometry to one Nb(1) and one V(1) atom. In the second O site, O(4) is bonded in a linear geometry to one Nb(1) and one V(2) atom. In the third O site, O(5) is bonded in a distorted single-bond geometry to one V(1) and one Tl(1) atom. In the fourth O site, O(6) is bonded in a single-bond geometry to one V(2) atom. In the fifth O site, O(1) is bonded in a bent 150 degrees geometry to one Nb(1) and one V(1) atom. In the sixth O site, O(2) is bonded in a bent 150 degrees geometry to one Nb(1) and one V(2) atom. is represented by the CIF file [CIF]
data_NbTlV2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.621
_cell_length_b   8.831
_cell_length_c   15.056
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   747.382
_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
  Nb  Nb0  1  0.250  0.824  0.623  1.0
  Nb  Nb1  1  0.250  0.676  0.123  1.0
  Nb  Nb2  1  0.750  0.176  0.377  1.0
  Nb  Nb3  1  0.750  0.324  0.877  1.0
  Tl  Tl4  1  0.250  0.929  0.881  1.0
  Tl  Tl5  1  0.250  0.571  0.381  1.0
  Tl  Tl6  1  0.750  0.071  0.119  1.0
  Tl  Tl7  1  0.750  0.429  0.619  1.0
  V  V8  1  0.250  0.520  0.785  1.0
  V  V9  1  0.250  0.980  0.285  1.0
  V  V10  1  0.750  0.480  0.215  1.0
  V  V11  1  0.750  0.020  0.715  1.0
  V  V12  1  0.250  0.209  0.525  1.0
  V  V13  1  0.250  0.291  0.025  1.0
  V  V14  1  0.750  0.791  0.475  1.0
  V  V15  1  0.750  0.709  0.975  1.0
  O  O16  1  0.006  0.908  0.709  1.0
  O  O17  1  0.494  0.592  0.209  1.0
  O  O18  1  0.506  0.092  0.291  1.0
  O  O19  1  0.994  0.408  0.791  1.0
  O  O20  1  0.994  0.092  0.291  1.0
  O  O21  1  0.506  0.408  0.791  1.0
  O  O22  1  0.494  0.908  0.709  1.0
  O  O23  1  0.006  0.592  0.209  1.0
  O  O24  1  1.000  0.752  0.542  1.0
  O  O25  1  0.500  0.748  0.042  1.0
  O  O26  1  0.500  0.248  0.458  1.0
  O  O27  1  0.000  0.252  0.958  1.0
  O  O28  1  0.000  0.248  0.458  1.0
  O  O29  1  0.500  0.252  0.958  1.0
  O  O30  1  0.500  0.752  0.542  1.0
  O  O31  1  1.000  0.748  0.042  1.0
  O  O32  1  0.250  0.631  0.688  1.0
  O  O33  1  0.250  0.869  0.188  1.0
  O  O34  1  0.750  0.369  0.312  1.0
  O  O35  1  0.750  0.131  0.812  1.0
  O  O36  1  0.250  0.025  0.562  1.0
  O  O37  1  0.250  0.475  0.062  1.0
  O  O38  1  0.750  0.975  0.438  1.0
  O  O39  1  0.750  0.525  0.938  1.0
  O  O40  1  0.250  0.636  0.869  1.0
  O  O41  1  0.250  0.864  0.369  1.0
  O  O42  1  0.750  0.364  0.131  1.0
  O  O43  1  0.750  0.136  0.631  1.0
  O  O44  1  0.750  0.829  0.892  1.0
  O  O45  1  0.750  0.671  0.392  1.0
  O  O46  1  0.250  0.171  0.108  1.0
  O  O47  1  0.250  0.329  0.608  1.0
[/CIF]
.
The crystal structure described by NbV2TlO8 crystallizes in the orthorhombic Pnma space group. Nb(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form NbO6 octahedra that share corners with three equivalent V(1)O4 tetrahedra and corners with three equivalent V(2)O4 tetrahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(5), and two equivalent O(1) atoms to form VO4 tetrahedra that share corners with three equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-37°. In the second V site, V(2) is bonded to one O(4), one O(6), and two equivalent O(2) atoms to form VO4 tetrahedra that share corners with three equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-30°. Tl(1) is bonded in a single-bond geometry to one O(5) atom. There are six inequivalent O sites. In the first O site, O(3) is bonded in a bent 150 degrees geometry to one Nb(1) and one V(1) atom. In the second O site, O(4) is bonded in a linear geometry to one Nb(1) and one V(2) atom. In the third O site, O(5) is bonded in a distorted single-bond geometry to one V(1) and one Tl(1) atom. In the fourth O site, O(6) is bonded in a single-bond geometry to one V(2) atom. In the fifth O site, O(1) is bonded in a bent 150 degrees geometry to one Nb(1) and one V(1) atom. In the sixth O site, O(2) is bonded in a bent 150 degrees geometry to one Nb(1) and one V(2) atom. is represented by the CIF file [CIF]
data_NbTlV2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.621
_cell_length_b   8.831
_cell_length_c   15.056
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   747.382
_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
  Nb  Nb0  1  0.250  0.824  0.623  1.0
  Nb  Nb1  1  0.250  0.676  0.123  1.0
  Nb  Nb2  1  0.750  0.176  0.377  1.0
  Nb  Nb3  1  0.750  0.324  0.877  1.0
  Tl  Tl4  1  0.250  0.929  0.881  1.0
  Tl  Tl5  1  0.250  0.571  0.381  1.0
  Tl  Tl6  1  0.750  0.071  0.119  1.0
  Tl  Tl7  1  0.750  0.429  0.619  1.0
  V  V8  1  0.250  0.520  0.785  1.0
  V  V9  1  0.250  0.980  0.285  1.0
  V  V10  1  0.750  0.480  0.215  1.0
  V  V11  1  0.750  0.020  0.715  1.0
  V  V12  1  0.250  0.209  0.525  1.0
  V  V13  1  0.250  0.291  0.025  1.0
  V  V14  1  0.750  0.791  0.475  1.0
  V  V15  1  0.750  0.709  0.975  1.0
  O  O16  1  0.006  0.908  0.709  1.0
  O  O17  1  0.494  0.592  0.209  1.0
  O  O18  1  0.506  0.092  0.291  1.0
  O  O19  1  0.994  0.408  0.791  1.0
  O  O20  1  0.994  0.092  0.291  1.0
  O  O21  1  0.506  0.408  0.791  1.0
  O  O22  1  0.494  0.908  0.709  1.0
  O  O23  1  0.006  0.592  0.209  1.0
  O  O24  1  1.000  0.752  0.542  1.0
  O  O25  1  0.500  0.748  0.042  1.0
  O  O26  1  0.500  0.248  0.458  1.0
  O  O27  1  0.000  0.252  0.958  1.0
  O  O28  1  0.000  0.248  0.458  1.0
  O  O29  1  0.500  0.252  0.958  1.0
  O  O30  1  0.500  0.752  0.542  1.0
  O  O31  1  1.000  0.748  0.042  1.0
  O  O32  1  0.250  0.631  0.688  1.0
  O  O33  1  0.250  0.869  0.188  1.0
  O  O34  1  0.750  0.369  0.312  1.0
  O  O35  1  0.750  0.131  0.812  1.0
  O  O36  1  0.250  0.025  0.562  1.0
  O  O37  1  0.250  0.475  0.062  1.0
  O  O38  1  0.750  0.975  0.438  1.0
  O  O39  1  0.750  0.525  0.938  1.0
  O  O40  1  0.250  0.636  0.869  1.0
  O  O41  1  0.250  0.864  0.369  1.0
  O  O42  1  0.750  0.364  0.131  1.0
  O  O43  1  0.750  0.136  0.631  1.0
  O  O44  1  0.750  0.829  0.892  1.0
  O  O45  1  0.750  0.671  0.392  1.0
  O  O46  1  0.250  0.171  0.108  1.0
  O  O47  1  0.250  0.329  0.608  1.0
[/CIF]
.