The material structure described by WNb12O33 crystallizes in the triclinic P1 space group. There are twelve inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(13), one O(15), one O(16), one O(33), and two equivalent O(9) atoms to form a mixture of distorted corner and edge-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 1-32°. In the second Nb site, Nb(2) is bonded to one O(19), one O(2), one O(3), one O(9), and two equivalent O(33) atoms to form distorted NbO6 octahedra that share  a cornercorner with one Nb(11)O6 octahedra,  a cornercorner with one Nb(12)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra,  a cornercorner with one W(1)O4 tetrahedra, and edges with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-32°. In the third Nb site, Nb(3) is bonded to one O(13), one O(27), one O(32), one O(7), and two equivalent O(26) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the fourth Nb site, Nb(4) is bonded to one O(16), one O(28), one O(31), one O(5), and two equivalent O(14) atoms to form distorted NbO6 octahedra that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(9)O6 octahedra, corners with two equivalent Nb(4)O6 octahedra,  a cornercorner with one W(1)O4 tetrahedra, and edges with two equivalent Nb(12)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-33°. In the fifth Nb site, Nb(5) is bonded to one O(17), one O(20), one O(24), one O(4), and two equivalent O(11) atoms to form distorted NbO6 octahedra that share  a cornercorner with one Nb(10)O6 octahedra,  a cornercorner with one Nb(12)O6 octahedra, corners with two equivalent Nb(5)O6 octahedra,  a cornercorner with one W(1)O4 tetrahedra, and edges with two equivalent Nb(11)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-34°. In the sixth Nb site, Nb(6) is bonded to one O(21), one O(22), one O(29), one O(32), and two equivalent O(10) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the seventh Nb site, Nb(7) is bonded to one O(15), one O(23), one O(30), one O(6), and two equivalent O(25) atoms to form distorted NbO6 octahedra that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(8)O6 octahedra, corners with two equivalent Nb(7)O6 octahedra,  a cornercorner with one W(1)O4 tetrahedra, and edges with two equivalent Nb(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-34°. In the eighth Nb site, Nb(8) is bonded to one O(18), one O(23), one O(7), one O(8), and two equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 4-32°. In the ninth Nb site, Nb(9) is bonded to one O(12), one O(25), one O(27), one O(28), and two equivalent O(6) atoms to form a mixture of distorted corner and edge-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 5-31°. In the tenth Nb site, Nb(10) is bonded to one O(1), one O(12), one O(22), one O(24), and two equivalent O(18) atoms to form a mixture of distorted corner and edge-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 5-32°. In the eleventh Nb site, Nb(11) is bonded to one O(11), one O(2), one O(21), one O(8), and two equivalent O(17) atoms to form a mixture of distorted corner and edge-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 6-31°. In the twelfth Nb site, Nb(12) is bonded to one O(14), one O(29), one O(3), one O(4), and two equivalent O(31) atoms to form a mixture of distorted corner and edge-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 3-32°. W(1) is bonded to one O(19), one O(20), one O(30), and one O(5) atom to form WO4 tetrahedra that share  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Nb(4)O6 octahedra,  a cornercorner with one Nb(5)O6 octahedra, and  a cornercorner with one Nb(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-45°. There are thirty-three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Nb(10) and two equivalent Nb(8) atoms. In the second O site, O(2) is bonded in a linear geometry to one Nb(11) and one Nb(2) atom. In the third O site, O(3) is bonded in a linear geometry to one Nb(12) and one Nb(2) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Nb(12) and one Nb(5) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Nb(4) and one W(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Nb(7) and two equivalent Nb(9) atoms. In the seventh O site, O(7) is bonded in a linear geometry to one Nb(3) and one Nb(8) atom. In the eighth O site, O(8) is bonded in a linear geometry to one Nb(11) and one Nb(8) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Nb(2) and two equivalent Nb(1) atoms. In the tenth O site, O(10) is bonded in a linear geometry to two equivalent Nb(6) atoms. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Nb(11) and two equivalent Nb(5) atoms. In the twelfth O site, O(12) is bonded in a linear geometry to one Nb(10) and one Nb(9) atom. In the thirteenth O site, O(13) is bonded in a linear geometry to one Nb(1) and one Nb(3) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Nb(12) and two equivalent Nb(4) atoms. In the fifteenth O site, O(15) is bonded in a linear geometry to one Nb(1) and one Nb(7) atom. In the sixteenth O site, O(16) is bonded in a linear geometry to one Nb(1) and one Nb(4) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Nb(5) and two equivalent Nb(11) atoms. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Nb(8) and two equivalent Nb(10) atoms. In the nineteenth O site, O(19) is bonded in a distorted bent 150 degrees geometry to one Nb(2) and one W(1) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one Nb(5) and one W(1) atom. In the twenty-first O site, O(21) is bonded in a linear geometry to one Nb(11) and one Nb(6) atom. In the twenty-second O site, O(22) is bonded in a linear geometry to one Nb(10) and one Nb(6) atom. In the twenty-third O site, O(23) is bonded in a linear geometry to one Nb(7) and one Nb(8) atom. In the twenty-fourth O site, O(24) is bonded in a linear geometry to one Nb(10) and one Nb(5) atom. In the twenty-fifth O site, O(25) is bonded in a 3-coordinate geometry to one Nb(9) and two equivalent Nb(7) atoms. In the twenty-sixth O site, O(26) is bonded in a linear geometry to two equivalent Nb(3) atoms. In the twenty-seventh O site, O(27) is bonded in a linear geometry to one Nb(3) and one Nb(9) atom. In the twenty-eighth O site, O(28) is bonded in a linear geometry to one Nb(4) and one Nb(9) atom. In the twenty-ninth O site, O(29) is bonded in a linear geometry to one Nb(12) and one Nb(6) atom. In the thirtieth O site, O(30) is bonded in a bent 150 degrees geometry to one Nb(7) and one W(1) atom. In the thirty-first O site, O(31) is bonded in a 3-coordinate geometry to one Nb(4) and two equivalent Nb(12) atoms. In the thirty-second O site, O(32) is bonded in a linear geometry to one Nb(3) and one Nb(6) atom. In the thirty-third O site, O(33) is bonded in a 3-coordinate geometry to one Nb(1) and two equivalent Nb(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb12WO33
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.873
_cell_length_b   11.563
_cell_length_c   15.351
_cell_angle_alpha   83.629
_cell_angle_beta   82.782
_cell_angle_gamma   80.448
_symmetry_Int_Tables_number   1
_cell_volume   669.730
_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  0.249  0.639  0.861  1.0
  Nb  Nb1  1  0.626  0.689  0.046  1.0
  Nb  Nb2  1  0.423  0.545  0.618  1.0
  Nb  Nb3  1  0.364  0.311  0.954  1.0
  Nb  Nb4  1  0.878  0.032  0.232  1.0
  Nb  Nb5  1  0.560  0.454  0.380  1.0
  Nb  Nb6  1  0.137  0.969  0.767  1.0
  Nb  Nb7  1  0.297  0.876  0.527  1.0
  Nb  Nb8  1  0.536  0.217  0.712  1.0
  Nb  Nb9  1  0.700  0.125  0.472  1.0
  Nb  Nb10  1  0.467  0.784  0.288  1.0
  Nb  Nb11  1  0.754  0.361  0.137  1.0
  W  W12  1  0.754  1.000  1.000  1.0
  O  O13  1  0.776  0.924  0.519  1.0
  O  O14  1  0.546  0.745  0.155  1.0
  O  O15  1  0.698  0.526  0.082  1.0
  O  O16  1  0.825  0.184  0.178  1.0
  O  O17  1  0.424  0.130  0.012  1.0
  O  O18  1  0.051  0.173  0.729  1.0
  O  O19  1  0.353  0.720  0.574  1.0
  O  O20  1  0.375  0.839  0.404  1.0
  O  O21  1  0.724  0.653  0.895  1.0
  O  O22  1  0.088  0.452  0.372  1.0
  O  O23  1  0.398  0.980  0.233  1.0
  O  O24  1  0.622  0.164  0.595  1.0
  O  O25  1  0.327  0.598  0.749  1.0
  O  O26  1  0.851  0.307  0.991  1.0
  O  O27  1  0.181  0.816  0.821  1.0
  O  O28  1  0.302  0.474  0.917  1.0
  O  O29  1  0.952  0.828  0.271  1.0
  O  O30  1  0.221  0.077  0.480  1.0
  O  O31  1  0.568  0.870  0.988  1.0
  O  O32  1  0.968  0.972  0.100  1.0
  O  O33  1  0.528  0.625  0.325  1.0
  O  O34  1  0.648  0.279  0.422  1.0
  O  O35  1  0.204  0.935  0.650  1.0
  O  O36  1  0.795  0.065  0.349  1.0
  O  O37  1  0.608  0.020  0.766  1.0
  O  O38  1  0.913  0.549  0.626  1.0
  O  O39  1  0.473  0.376  0.676  1.0
  O  O40  1  0.454  0.254  0.844  1.0
  O  O41  1  0.678  0.402  0.250  1.0
  O  O42  1  0.039  0.028  0.900  1.0
  O  O43  1  0.277  0.347  0.103  1.0
  O  O44  1  0.503  0.496  0.500  1.0
  O  O45  1  0.148  0.692  0.009  1.0
[/CIF]
.
The material structure described by WNb12O33 crystallizes in the triclinic P1 space group. There are twelve inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(13), one O(15), one O(16), one O(33), and two equivalent O(9) atoms to form a mixture of distorted corner and edge-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 1-32°. In the second Nb site, Nb(2) is bonded to one O(19), one O(2), one O(3), one O(9), and two equivalent O(33) atoms to form distorted NbO6 octahedra that share  a cornercorner with one Nb(11)O6 octahedra,  a cornercorner with one Nb(12)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra,  a cornercorner with one W(1)O4 tetrahedra, and edges with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-32°. In the third Nb site, Nb(3) is bonded to one O(13), one O(27), one O(32), one O(7), and two equivalent O(26) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the fourth Nb site, Nb(4) is bonded to one O(16), one O(28), one O(31), one O(5), and two equivalent O(14) atoms to form distorted NbO6 octahedra that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(9)O6 octahedra, corners with two equivalent Nb(4)O6 octahedra,  a cornercorner with one W(1)O4 tetrahedra, and edges with two equivalent Nb(12)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-33°. In the fifth Nb site, Nb(5) is bonded to one O(17), one O(20), one O(24), one O(4), and two equivalent O(11) atoms to form distorted NbO6 octahedra that share  a cornercorner with one Nb(10)O6 octahedra,  a cornercorner with one Nb(12)O6 octahedra, corners with two equivalent Nb(5)O6 octahedra,  a cornercorner with one W(1)O4 tetrahedra, and edges with two equivalent Nb(11)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-34°. In the sixth Nb site, Nb(6) is bonded to one O(21), one O(22), one O(29), one O(32), and two equivalent O(10) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the seventh Nb site, Nb(7) is bonded to one O(15), one O(23), one O(30), one O(6), and two equivalent O(25) atoms to form distorted NbO6 octahedra that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(8)O6 octahedra, corners with two equivalent Nb(7)O6 octahedra,  a cornercorner with one W(1)O4 tetrahedra, and edges with two equivalent Nb(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-34°. In the eighth Nb site, Nb(8) is bonded to one O(18), one O(23), one O(7), one O(8), and two equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 4-32°. In the ninth Nb site, Nb(9) is bonded to one O(12), one O(25), one O(27), one O(28), and two equivalent O(6) atoms to form a mixture of distorted corner and edge-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 5-31°. In the tenth Nb site, Nb(10) is bonded to one O(1), one O(12), one O(22), one O(24), and two equivalent O(18) atoms to form a mixture of distorted corner and edge-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 5-32°. In the eleventh Nb site, Nb(11) is bonded to one O(11), one O(2), one O(21), one O(8), and two equivalent O(17) atoms to form a mixture of distorted corner and edge-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 6-31°. In the twelfth Nb site, Nb(12) is bonded to one O(14), one O(29), one O(3), one O(4), and two equivalent O(31) atoms to form a mixture of distorted corner and edge-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 3-32°. W(1) is bonded to one O(19), one O(20), one O(30), and one O(5) atom to form WO4 tetrahedra that share  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Nb(4)O6 octahedra,  a cornercorner with one Nb(5)O6 octahedra, and  a cornercorner with one Nb(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-45°. There are thirty-three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Nb(10) and two equivalent Nb(8) atoms. In the second O site, O(2) is bonded in a linear geometry to one Nb(11) and one Nb(2) atom. In the third O site, O(3) is bonded in a linear geometry to one Nb(12) and one Nb(2) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Nb(12) and one Nb(5) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Nb(4) and one W(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Nb(7) and two equivalent Nb(9) atoms. In the seventh O site, O(7) is bonded in a linear geometry to one Nb(3) and one Nb(8) atom. In the eighth O site, O(8) is bonded in a linear geometry to one Nb(11) and one Nb(8) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Nb(2) and two equivalent Nb(1) atoms. In the tenth O site, O(10) is bonded in a linear geometry to two equivalent Nb(6) atoms. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Nb(11) and two equivalent Nb(5) atoms. In the twelfth O site, O(12) is bonded in a linear geometry to one Nb(10) and one Nb(9) atom. In the thirteenth O site, O(13) is bonded in a linear geometry to one Nb(1) and one Nb(3) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Nb(12) and two equivalent Nb(4) atoms. In the fifteenth O site, O(15) is bonded in a linear geometry to one Nb(1) and one Nb(7) atom. In the sixteenth O site, O(16) is bonded in a linear geometry to one Nb(1) and one Nb(4) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Nb(5) and two equivalent Nb(11) atoms. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Nb(8) and two equivalent Nb(10) atoms. In the nineteenth O site, O(19) is bonded in a distorted bent 150 degrees geometry to one Nb(2) and one W(1) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one Nb(5) and one W(1) atom. In the twenty-first O site, O(21) is bonded in a linear geometry to one Nb(11) and one Nb(6) atom. In the twenty-second O site, O(22) is bonded in a linear geometry to one Nb(10) and one Nb(6) atom. In the twenty-third O site, O(23) is bonded in a linear geometry to one Nb(7) and one Nb(8) atom. In the twenty-fourth O site, O(24) is bonded in a linear geometry to one Nb(10) and one Nb(5) atom. In the twenty-fifth O site, O(25) is bonded in a 3-coordinate geometry to one Nb(9) and two equivalent Nb(7) atoms. In the twenty-sixth O site, O(26) is bonded in a linear geometry to two equivalent Nb(3) atoms. In the twenty-seventh O site, O(27) is bonded in a linear geometry to one Nb(3) and one Nb(9) atom. In the twenty-eighth O site, O(28) is bonded in a linear geometry to one Nb(4) and one Nb(9) atom. In the twenty-ninth O site, O(29) is bonded in a linear geometry to one Nb(12) and one Nb(6) atom. In the thirtieth O site, O(30) is bonded in a bent 150 degrees geometry to one Nb(7) and one W(1) atom. In the thirty-first O site, O(31) is bonded in a 3-coordinate geometry to one Nb(4) and two equivalent Nb(12) atoms. In the thirty-second O site, O(32) is bonded in a linear geometry to one Nb(3) and one Nb(6) atom. In the thirty-third O site, O(33) is bonded in a 3-coordinate geometry to one Nb(1) and two equivalent Nb(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb12WO33
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.873
_cell_length_b   11.563
_cell_length_c   15.351
_cell_angle_alpha   83.629
_cell_angle_beta   82.782
_cell_angle_gamma   80.448
_symmetry_Int_Tables_number   1
_cell_volume   669.730
_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  0.249  0.639  0.861  1.0
  Nb  Nb1  1  0.626  0.689  0.046  1.0
  Nb  Nb2  1  0.423  0.545  0.618  1.0
  Nb  Nb3  1  0.364  0.311  0.954  1.0
  Nb  Nb4  1  0.878  0.032  0.232  1.0
  Nb  Nb5  1  0.560  0.454  0.380  1.0
  Nb  Nb6  1  0.137  0.969  0.767  1.0
  Nb  Nb7  1  0.297  0.876  0.527  1.0
  Nb  Nb8  1  0.536  0.217  0.712  1.0
  Nb  Nb9  1  0.700  0.125  0.472  1.0
  Nb  Nb10  1  0.467  0.784  0.288  1.0
  Nb  Nb11  1  0.754  0.361  0.137  1.0
  W  W12  1  0.754  1.000  1.000  1.0
  O  O13  1  0.776  0.924  0.519  1.0
  O  O14  1  0.546  0.745  0.155  1.0
  O  O15  1  0.698  0.526  0.082  1.0
  O  O16  1  0.825  0.184  0.178  1.0
  O  O17  1  0.424  0.130  0.012  1.0
  O  O18  1  0.051  0.173  0.729  1.0
  O  O19  1  0.353  0.720  0.574  1.0
  O  O20  1  0.375  0.839  0.404  1.0
  O  O21  1  0.724  0.653  0.895  1.0
  O  O22  1  0.088  0.452  0.372  1.0
  O  O23  1  0.398  0.980  0.233  1.0
  O  O24  1  0.622  0.164  0.595  1.0
  O  O25  1  0.327  0.598  0.749  1.0
  O  O26  1  0.851  0.307  0.991  1.0
  O  O27  1  0.181  0.816  0.821  1.0
  O  O28  1  0.302  0.474  0.917  1.0
  O  O29  1  0.952  0.828  0.271  1.0
  O  O30  1  0.221  0.077  0.480  1.0
  O  O31  1  0.568  0.870  0.988  1.0
  O  O32  1  0.968  0.972  0.100  1.0
  O  O33  1  0.528  0.625  0.325  1.0
  O  O34  1  0.648  0.279  0.422  1.0
  O  O35  1  0.204  0.935  0.650  1.0
  O  O36  1  0.795  0.065  0.349  1.0
  O  O37  1  0.608  0.020  0.766  1.0
  O  O38  1  0.913  0.549  0.626  1.0
  O  O39  1  0.473  0.376  0.676  1.0
  O  O40  1  0.454  0.254  0.844  1.0
  O  O41  1  0.678  0.402  0.250  1.0
  O  O42  1  0.039  0.028  0.900  1.0
  O  O43  1  0.277  0.347  0.103  1.0
  O  O44  1  0.503  0.496  0.500  1.0
  O  O45  1  0.148  0.692  0.009  1.0
[/CIF]
.