The material structure described by NbO12TlO2 is Cuprite-derived structured and crystallizes in the cubic Fd-3m space group. The structure consists of eight NbO12 clusters inside a TlO2 framework. In each NbO12 cluster, Nb(1) is bonded in a cuboctahedral geometry to twelve equivalent O(1) atoms. O(1) is bonded in a 3-coordinate geometry to one Nb(1) and two equivalent O(1) atoms. In the TlO2 framework, Tl(1) is bonded to four equivalent O(2) atoms to form corner-sharing TlO4 tetrahedra. O(2) is bonded in a linear geometry to two equivalent Tl(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbTlO14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.703
_cell_length_b   7.703
_cell_length_c   7.703
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   323.246
_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  0.500  0.500  0.500  1.0
  Nb  Nb1  1  0.750  0.750  0.750  1.0
  Tl  Tl2  1  0.000  0.000  0.000  1.0
  Tl  Tl3  1  0.250  0.250  0.250  1.0
  O  O4  1  0.808  0.476  0.476  1.0
  O  O5  1  0.476  0.808  0.240  1.0
  O  O6  1  0.476  0.240  0.808  1.0
  O  O7  1  0.476  0.808  0.476  1.0
  O  O8  1  0.442  0.774  0.010  1.0
  O  O9  1  0.442  0.774  0.774  1.0
  O  O10  1  0.240  0.476  0.476  1.0
  O  O11  1  0.240  0.476  0.808  1.0
  O  O12  1  0.774  0.442  0.774  1.0
  O  O13  1  0.774  0.442  0.010  1.0
  O  O14  1  0.808  0.476  0.240  1.0
  O  O15  1  0.774  0.010  0.774  1.0
  O  O16  1  0.774  0.010  0.442  1.0
  O  O17  1  0.476  0.240  0.476  1.0
  O  O18  1  0.010  0.774  0.442  1.0
  O  O19  1  0.010  0.774  0.774  1.0
  O  O20  1  0.476  0.476  0.808  1.0
  O  O21  1  0.240  0.808  0.476  1.0
  O  O22  1  0.476  0.476  0.240  1.0
  O  O23  1  0.808  0.240  0.476  1.0
  O  O24  1  0.010  0.442  0.774  1.0
  O  O25  1  0.774  0.774  0.442  1.0
  O  O26  1  0.442  0.010  0.774  1.0
  O  O27  1  0.774  0.774  0.010  1.0
  O  O28  1  0.125  0.125  0.125  1.0
  O  O29  1  0.125  0.125  0.625  1.0
  O  O30  1  0.125  0.625  0.125  1.0
  O  O31  1  0.625  0.125  0.125  1.0
[/CIF]
.
The material structure described by NbO12TlO2 is Cuprite-derived structured and crystallizes in the cubic Fd-3m space group. The structure consists of eight NbO12 clusters inside a TlO2 framework. In each NbO12 cluster, Nb(1) is bonded in a cuboctahedral geometry to twelve equivalent O(1) atoms. O(1) is bonded in a 3-coordinate geometry to one Nb(1) and two equivalent O(1) atoms. In the TlO2 framework, Tl(1) is bonded to four equivalent O(2) atoms to form corner-sharing TlO4 tetrahedra. O(2) is bonded in a linear geometry to two equivalent Tl(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbTlO14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.703
_cell_length_b   7.703
_cell_length_c   7.703
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   323.246
_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  0.500  0.500  0.500  1.0
  Nb  Nb1  1  0.750  0.750  0.750  1.0
  Tl  Tl2  1  0.000  0.000  0.000  1.0
  Tl  Tl3  1  0.250  0.250  0.250  1.0
  O  O4  1  0.808  0.476  0.476  1.0
  O  O5  1  0.476  0.808  0.240  1.0
  O  O6  1  0.476  0.240  0.808  1.0
  O  O7  1  0.476  0.808  0.476  1.0
  O  O8  1  0.442  0.774  0.010  1.0
  O  O9  1  0.442  0.774  0.774  1.0
  O  O10  1  0.240  0.476  0.476  1.0
  O  O11  1  0.240  0.476  0.808  1.0
  O  O12  1  0.774  0.442  0.774  1.0
  O  O13  1  0.774  0.442  0.010  1.0
  O  O14  1  0.808  0.476  0.240  1.0
  O  O15  1  0.774  0.010  0.774  1.0
  O  O16  1  0.774  0.010  0.442  1.0
  O  O17  1  0.476  0.240  0.476  1.0
  O  O18  1  0.010  0.774  0.442  1.0
  O  O19  1  0.010  0.774  0.774  1.0
  O  O20  1  0.476  0.476  0.808  1.0
  O  O21  1  0.240  0.808  0.476  1.0
  O  O22  1  0.476  0.476  0.240  1.0
  O  O23  1  0.808  0.240  0.476  1.0
  O  O24  1  0.010  0.442  0.774  1.0
  O  O25  1  0.774  0.774  0.442  1.0
  O  O26  1  0.442  0.010  0.774  1.0
  O  O27  1  0.774  0.774  0.010  1.0
  O  O28  1  0.125  0.125  0.125  1.0
  O  O29  1  0.125  0.125  0.625  1.0
  O  O30  1  0.125  0.625  0.125  1.0
  O  O31  1  0.625  0.125  0.125  1.0
[/CIF]
.