The structure described by Ta12MoO33 crystallizes in the monoclinic C2 space group. There are six inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one O(2), one O(3), one O(5), one O(8), and two equivalent O(12) atoms to form distorted TaO6 octahedra that share  a cornercorner with one Ta(5)O6 octahedra,  a cornercorner with one Ta(6)O6 octahedra, corners with two equivalent Ta(1)O6 octahedra,  a cornercorner with one Mo(1)O4 tetrahedra, and edges with two equivalent Ta(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-31°. In the second Ta site, Ta(2) is bonded to one O(1), one O(11), one O(13), one O(4), and two equivalent O(15) atoms to form distorted TaO6 octahedra that share  a cornercorner with one Ta(4)O6 octahedra,  a cornercorner with one Ta(5)O6 octahedra, corners with two equivalent Ta(2)O6 octahedra,  a cornercorner with one Mo(1)O4 tetrahedra, and edges with two equivalent Ta(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-30°. In the third Ta site, Ta(3) is bonded to one O(10), one O(14), one O(17), one O(9), and two equivalent O(6) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the fourth Ta site, Ta(4) is bonded to one O(10), one O(11), one O(12), one O(16), and two equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 6-32°. In the fifth Ta site, Ta(5) is bonded to one O(15), one O(2), one O(4), one O(9), and two equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 3-33°. In the sixth Ta site, Ta(6) is bonded to one O(14), one O(16), one O(5), and three equivalent O(7) atoms to form a mixture of distorted corner and edge-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 3-31°. Mo(1) is bonded to two equivalent O(13) and two equivalent O(8) atoms to form MoO4 tetrahedra that share corners with two equivalent Ta(1)O6 octahedra and corners with two equivalent Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are seventeen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ta(2) and two equivalent Ta(5) atoms. In the second O site, O(2) is bonded in a linear geometry to one Ta(1) and one Ta(5) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ta(1) and two equivalent Ta(4) atoms. In the fourth O site, O(4) is bonded in a linear geometry to one Ta(2) and one Ta(5) atom. In the fifth O site, O(5) is bonded in a linear geometry to one Ta(1) and one Ta(6) atom. In the sixth O site, O(6) is bonded in a linear geometry to two equivalent Ta(3) atoms. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to three equivalent Ta(6) atoms. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Ta(1) and one Mo(1) atom. In the ninth O site, O(9) is bonded in a linear geometry to one Ta(3) and one Ta(5) atom. In the tenth O site, O(10) is bonded in a linear geometry to one Ta(3) and one Ta(4) atom. In the eleventh O site, O(11) is bonded in a linear geometry to one Ta(2) and one Ta(4) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Ta(4) and two equivalent Ta(1) atoms. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Ta(2) and one Mo(1) atom. In the fourteenth O site, O(14) is bonded in a linear geometry to one Ta(3) and one Ta(6) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Ta(5) and two equivalent Ta(2) atoms. In the sixteenth O site, O(16) is bonded in a linear geometry to one Ta(4) and one Ta(6) atom. In the seventeenth O site, O(17) is bonded in a linear geometry to two equivalent Ta(3) atoms. is represented by the CIF file [CIF]
data_Ta12MoO33
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.458
_cell_length_b   11.458
_cell_length_c   17.966
_cell_angle_alpha   57.110
_cell_angle_beta   57.110
_cell_angle_gamma   19.397
_symmetry_Int_Tables_number   1
_cell_volume   653.717
_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
  Ta  Ta0  1  0.633  0.628  0.268  1.0
  Ta  Ta1  1  0.372  0.367  0.732  1.0
  Ta  Ta2  1  0.864  0.869  0.455  1.0
  Ta  Ta3  1  0.131  0.136  0.545  1.0
  Ta  Ta4  1  0.083  0.083  0.880  1.0
  Ta  Ta5  1  0.917  0.917  0.120  1.0
  Ta  Ta6  1  0.965  0.965  0.786  1.0
  Ta  Ta7  1  0.035  0.035  0.214  1.0
  Ta  Ta8  1  0.254  0.253  0.637  1.0
  Ta  Ta9  1  0.747  0.746  0.363  1.0
  Ta  Ta10  1  0.202  0.202  0.974  1.0
  Ta  Ta11  1  0.798  0.798  0.026  1.0
  Mo  Mo12  1  0.249  0.751  0.500  1.0
  O  O13  1  0.777  0.777  0.601  1.0
  O  O14  1  0.223  0.223  0.399  1.0
  O  O15  1  0.322  0.322  0.675  1.0
  O  O16  1  0.678  0.678  0.325  1.0
  O  O17  1  0.450  0.450  0.770  1.0
  O  O18  1  0.550  0.550  0.230  1.0
  O  O19  1  0.804  0.803  0.417  1.0
  O  O20  1  0.197  0.196  0.583  1.0
  O  O21  1  0.707  0.709  0.151  1.0
  O  O22  1  0.291  0.293  0.849  1.0
  O  O23  1  0.410  0.410  0.131  1.0
  O  O24  1  0.590  0.590  0.869  1.0
  O  O25  1  0.278  0.278  0.019  1.0
  O  O26  1  0.722  0.722  0.981  1.0
  O  O27  1  0.536  0.531  0.401  1.0
  O  O28  1  0.469  0.464  0.599  1.0
  O  O29  1  0.824  0.823  0.250  1.0
  O  O30  1  0.177  0.176  0.750  1.0
  O  O31  1  0.026  0.026  0.824  1.0
  O  O32  1  0.974  0.974  0.176  1.0
  O  O33  1  0.952  0.951  0.344  1.0
  O  O34  1  0.049  0.048  0.656  1.0
  O  O35  1  0.894  0.893  0.731  1.0
  O  O36  1  0.107  0.106  0.269  1.0
  O  O37  1  0.070  0.075  0.486  1.0
  O  O38  1  0.925  0.930  0.514  1.0
  O  O39  1  0.853  0.853  0.074  1.0
  O  O40  1  0.147  0.147  0.926  1.0
  O  O41  1  0.351  0.352  0.489  1.0
  O  O42  1  0.648  0.649  0.511  1.0
  O  O43  1  0.122  0.122  0.097  1.0
  O  O44  1  0.878  0.878  0.903  1.0
  O  O45  1  0.000  1.000  0.000  1.0
[/CIF]
.
The structure described by Ta12MoO33 crystallizes in the monoclinic C2 space group. There are six inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one O(2), one O(3), one O(5), one O(8), and two equivalent O(12) atoms to form distorted TaO6 octahedra that share  a cornercorner with one Ta(5)O6 octahedra,  a cornercorner with one Ta(6)O6 octahedra, corners with two equivalent Ta(1)O6 octahedra,  a cornercorner with one Mo(1)O4 tetrahedra, and edges with two equivalent Ta(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-31°. In the second Ta site, Ta(2) is bonded to one O(1), one O(11), one O(13), one O(4), and two equivalent O(15) atoms to form distorted TaO6 octahedra that share  a cornercorner with one Ta(4)O6 octahedra,  a cornercorner with one Ta(5)O6 octahedra, corners with two equivalent Ta(2)O6 octahedra,  a cornercorner with one Mo(1)O4 tetrahedra, and edges with two equivalent Ta(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-30°. In the third Ta site, Ta(3) is bonded to one O(10), one O(14), one O(17), one O(9), and two equivalent O(6) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the fourth Ta site, Ta(4) is bonded to one O(10), one O(11), one O(12), one O(16), and two equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 6-32°. In the fifth Ta site, Ta(5) is bonded to one O(15), one O(2), one O(4), one O(9), and two equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 3-33°. In the sixth Ta site, Ta(6) is bonded to one O(14), one O(16), one O(5), and three equivalent O(7) atoms to form a mixture of distorted corner and edge-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 3-31°. Mo(1) is bonded to two equivalent O(13) and two equivalent O(8) atoms to form MoO4 tetrahedra that share corners with two equivalent Ta(1)O6 octahedra and corners with two equivalent Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are seventeen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ta(2) and two equivalent Ta(5) atoms. In the second O site, O(2) is bonded in a linear geometry to one Ta(1) and one Ta(5) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ta(1) and two equivalent Ta(4) atoms. In the fourth O site, O(4) is bonded in a linear geometry to one Ta(2) and one Ta(5) atom. In the fifth O site, O(5) is bonded in a linear geometry to one Ta(1) and one Ta(6) atom. In the sixth O site, O(6) is bonded in a linear geometry to two equivalent Ta(3) atoms. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to three equivalent Ta(6) atoms. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Ta(1) and one Mo(1) atom. In the ninth O site, O(9) is bonded in a linear geometry to one Ta(3) and one Ta(5) atom. In the tenth O site, O(10) is bonded in a linear geometry to one Ta(3) and one Ta(4) atom. In the eleventh O site, O(11) is bonded in a linear geometry to one Ta(2) and one Ta(4) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Ta(4) and two equivalent Ta(1) atoms. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Ta(2) and one Mo(1) atom. In the fourteenth O site, O(14) is bonded in a linear geometry to one Ta(3) and one Ta(6) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Ta(5) and two equivalent Ta(2) atoms. In the sixteenth O site, O(16) is bonded in a linear geometry to one Ta(4) and one Ta(6) atom. In the seventeenth O site, O(17) is bonded in a linear geometry to two equivalent Ta(3) atoms. is represented by the CIF file [CIF]
data_Ta12MoO33
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.458
_cell_length_b   11.458
_cell_length_c   17.966
_cell_angle_alpha   57.110
_cell_angle_beta   57.110
_cell_angle_gamma   19.397
_symmetry_Int_Tables_number   1
_cell_volume   653.717
_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
  Ta  Ta0  1  0.633  0.628  0.268  1.0
  Ta  Ta1  1  0.372  0.367  0.732  1.0
  Ta  Ta2  1  0.864  0.869  0.455  1.0
  Ta  Ta3  1  0.131  0.136  0.545  1.0
  Ta  Ta4  1  0.083  0.083  0.880  1.0
  Ta  Ta5  1  0.917  0.917  0.120  1.0
  Ta  Ta6  1  0.965  0.965  0.786  1.0
  Ta  Ta7  1  0.035  0.035  0.214  1.0
  Ta  Ta8  1  0.254  0.253  0.637  1.0
  Ta  Ta9  1  0.747  0.746  0.363  1.0
  Ta  Ta10  1  0.202  0.202  0.974  1.0
  Ta  Ta11  1  0.798  0.798  0.026  1.0
  Mo  Mo12  1  0.249  0.751  0.500  1.0
  O  O13  1  0.777  0.777  0.601  1.0
  O  O14  1  0.223  0.223  0.399  1.0
  O  O15  1  0.322  0.322  0.675  1.0
  O  O16  1  0.678  0.678  0.325  1.0
  O  O17  1  0.450  0.450  0.770  1.0
  O  O18  1  0.550  0.550  0.230  1.0
  O  O19  1  0.804  0.803  0.417  1.0
  O  O20  1  0.197  0.196  0.583  1.0
  O  O21  1  0.707  0.709  0.151  1.0
  O  O22  1  0.291  0.293  0.849  1.0
  O  O23  1  0.410  0.410  0.131  1.0
  O  O24  1  0.590  0.590  0.869  1.0
  O  O25  1  0.278  0.278  0.019  1.0
  O  O26  1  0.722  0.722  0.981  1.0
  O  O27  1  0.536  0.531  0.401  1.0
  O  O28  1  0.469  0.464  0.599  1.0
  O  O29  1  0.824  0.823  0.250  1.0
  O  O30  1  0.177  0.176  0.750  1.0
  O  O31  1  0.026  0.026  0.824  1.0
  O  O32  1  0.974  0.974  0.176  1.0
  O  O33  1  0.952  0.951  0.344  1.0
  O  O34  1  0.049  0.048  0.656  1.0
  O  O35  1  0.894  0.893  0.731  1.0
  O  O36  1  0.107  0.106  0.269  1.0
  O  O37  1  0.070  0.075  0.486  1.0
  O  O38  1  0.925  0.930  0.514  1.0
  O  O39  1  0.853  0.853  0.074  1.0
  O  O40  1  0.147  0.147  0.926  1.0
  O  O41  1  0.351  0.352  0.489  1.0
  O  O42  1  0.648  0.649  0.511  1.0
  O  O43  1  0.122  0.122  0.097  1.0
  O  O44  1  0.878  0.878  0.903  1.0
  O  O45  1  0.000  1.000  0.000  1.0
[/CIF]
.