The material structure described by ThMoTe2O9 crystallizes in the monoclinic C2/c space group. Th(1) is bonded in a 9-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and two equivalent O(2) atoms. Mo(1) is bonded in a tetrahedral geometry to one O(4), one O(6), one O(7), and one O(9) atom. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(8), and one O(9) atom. In the second Te site, Te(2) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(5) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Th(1), one Te(1), and one Te(2) atom. In the second O site, O(9) is bonded in a 2-coordinate geometry to one Mo(1) and one Te(1) atom. In the third O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Th(1) and one Te(2) atom. In the fourth O site, O(3) is bonded in a distorted trigonal planar geometry to one Th(1), one Te(1), and one Te(2) atom. In the fifth O site, O(4) is bonded in a bent 150 degrees geometry to one Th(1) and one Mo(1) atom. In the sixth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Th(1) and one Te(2) atom. In the seventh O site, O(6) is bonded in a 2-coordinate geometry to one Th(1) and one Mo(1) atom. In the eighth O site, O(7) is bonded in a single-bond geometry to one Th(1) and one Mo(1) atom. In the ninth O site, O(8) is bonded in a linear geometry to one Th(1) and one Te(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ThTe2MoO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.430
_cell_length_b   11.430
_cell_length_c   11.035
_cell_angle_alpha   70.565
_cell_angle_beta   70.565
_cell_angle_gamma   36.451
_symmetry_Int_Tables_number   1
_cell_volume   802.338
_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
  Th  Th0  1  0.693  0.002  0.477  1.0
  Th  Th1  1  0.998  0.307  0.023  1.0
  Th  Th2  1  0.307  0.998  0.523  1.0
  Th  Th3  1  0.002  0.693  0.977  1.0
  Te  Te4  1  0.226  0.555  0.284  1.0
  Te  Te5  1  0.445  0.774  0.216  1.0
  Te  Te6  1  0.774  0.445  0.716  1.0
  Te  Te7  1  0.555  0.226  0.784  1.0
  Te  Te8  1  0.813  0.661  0.333  1.0
  Te  Te9  1  0.339  0.187  0.167  1.0
  Te  Te10  1  0.187  0.339  0.667  1.0
  Te  Te11  1  0.661  0.813  0.833  1.0
  Mo  Mo12  1  0.746  0.174  0.095  1.0
  Mo  Mo13  1  0.826  0.254  0.405  1.0
  Mo  Mo14  1  0.254  0.826  0.905  1.0
  Mo  Mo15  1  0.174  0.746  0.595  1.0
  O  O16  1  0.978  0.656  0.384  1.0
  O  O17  1  0.344  0.022  0.116  1.0
  O  O18  1  0.022  0.344  0.616  1.0
  O  O19  1  0.656  0.978  0.884  1.0
  O  O20  1  0.606  0.903  0.408  1.0
  O  O21  1  0.097  0.394  0.092  1.0
  O  O22  1  0.394  0.097  0.592  1.0
  O  O23  1  0.903  0.606  0.908  1.0
  O  O24  1  0.217  0.474  0.163  1.0
  O  O25  1  0.526  0.783  0.337  1.0
  O  O26  1  0.783  0.526  0.837  1.0
  O  O27  1  0.474  0.217  0.663  1.0
  O  O28  1  0.825  0.020  0.249  1.0
  O  O29  1  0.980  0.175  0.251  1.0
  O  O30  1  0.175  0.980  0.751  1.0
  O  O31  1  0.020  0.825  0.749  1.0
  O  O32  1  0.788  0.787  0.164  1.0
  O  O33  1  0.213  0.212  0.336  1.0
  O  O34  1  0.212  0.213  0.836  1.0
  O  O35  1  0.787  0.788  0.664  1.0
  O  O36  1  0.808  0.102  0.499  1.0
  O  O37  1  0.898  0.192  0.001  1.0
  O  O38  1  0.192  0.898  0.501  1.0
  O  O39  1  0.102  0.808  0.999  1.0
  O  O40  1  0.703  0.111  0.002  1.0
  O  O41  1  0.889  0.297  0.498  1.0
  O  O42  1  0.297  0.889  0.998  1.0
  O  O43  1  0.111  0.703  0.502  1.0
  O  O44  1  0.409  0.311  0.386  1.0
  O  O45  1  0.689  0.591  0.114  1.0
  O  O46  1  0.591  0.689  0.614  1.0
  O  O47  1  0.311  0.409  0.886  1.0
  O  O48  1  0.515  0.417  0.138  1.0
  O  O49  1  0.583  0.485  0.362  1.0
  O  O50  1  0.485  0.583  0.862  1.0
  O  O51  1  0.417  0.515  0.638  1.0
[/CIF]
.
The material structure described by ThMoTe2O9 crystallizes in the monoclinic C2/c space group. Th(1) is bonded in a 9-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and two equivalent O(2) atoms. Mo(1) is bonded in a tetrahedral geometry to one O(4), one O(6), one O(7), and one O(9) atom. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(8), and one O(9) atom. In the second Te site, Te(2) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(5) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Th(1), one Te(1), and one Te(2) atom. In the second O site, O(9) is bonded in a 2-coordinate geometry to one Mo(1) and one Te(1) atom. In the third O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Th(1) and one Te(2) atom. In the fourth O site, O(3) is bonded in a distorted trigonal planar geometry to one Th(1), one Te(1), and one Te(2) atom. In the fifth O site, O(4) is bonded in a bent 150 degrees geometry to one Th(1) and one Mo(1) atom. In the sixth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Th(1) and one Te(2) atom. In the seventh O site, O(6) is bonded in a 2-coordinate geometry to one Th(1) and one Mo(1) atom. In the eighth O site, O(7) is bonded in a single-bond geometry to one Th(1) and one Mo(1) atom. In the ninth O site, O(8) is bonded in a linear geometry to one Th(1) and one Te(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ThTe2MoO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.430
_cell_length_b   11.430
_cell_length_c   11.035
_cell_angle_alpha   70.565
_cell_angle_beta   70.565
_cell_angle_gamma   36.451
_symmetry_Int_Tables_number   1
_cell_volume   802.338
_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
  Th  Th0  1  0.693  0.002  0.477  1.0
  Th  Th1  1  0.998  0.307  0.023  1.0
  Th  Th2  1  0.307  0.998  0.523  1.0
  Th  Th3  1  0.002  0.693  0.977  1.0
  Te  Te4  1  0.226  0.555  0.284  1.0
  Te  Te5  1  0.445  0.774  0.216  1.0
  Te  Te6  1  0.774  0.445  0.716  1.0
  Te  Te7  1  0.555  0.226  0.784  1.0
  Te  Te8  1  0.813  0.661  0.333  1.0
  Te  Te9  1  0.339  0.187  0.167  1.0
  Te  Te10  1  0.187  0.339  0.667  1.0
  Te  Te11  1  0.661  0.813  0.833  1.0
  Mo  Mo12  1  0.746  0.174  0.095  1.0
  Mo  Mo13  1  0.826  0.254  0.405  1.0
  Mo  Mo14  1  0.254  0.826  0.905  1.0
  Mo  Mo15  1  0.174  0.746  0.595  1.0
  O  O16  1  0.978  0.656  0.384  1.0
  O  O17  1  0.344  0.022  0.116  1.0
  O  O18  1  0.022  0.344  0.616  1.0
  O  O19  1  0.656  0.978  0.884  1.0
  O  O20  1  0.606  0.903  0.408  1.0
  O  O21  1  0.097  0.394  0.092  1.0
  O  O22  1  0.394  0.097  0.592  1.0
  O  O23  1  0.903  0.606  0.908  1.0
  O  O24  1  0.217  0.474  0.163  1.0
  O  O25  1  0.526  0.783  0.337  1.0
  O  O26  1  0.783  0.526  0.837  1.0
  O  O27  1  0.474  0.217  0.663  1.0
  O  O28  1  0.825  0.020  0.249  1.0
  O  O29  1  0.980  0.175  0.251  1.0
  O  O30  1  0.175  0.980  0.751  1.0
  O  O31  1  0.020  0.825  0.749  1.0
  O  O32  1  0.788  0.787  0.164  1.0
  O  O33  1  0.213  0.212  0.336  1.0
  O  O34  1  0.212  0.213  0.836  1.0
  O  O35  1  0.787  0.788  0.664  1.0
  O  O36  1  0.808  0.102  0.499  1.0
  O  O37  1  0.898  0.192  0.001  1.0
  O  O38  1  0.192  0.898  0.501  1.0
  O  O39  1  0.102  0.808  0.999  1.0
  O  O40  1  0.703  0.111  0.002  1.0
  O  O41  1  0.889  0.297  0.498  1.0
  O  O42  1  0.297  0.889  0.998  1.0
  O  O43  1  0.111  0.703  0.502  1.0
  O  O44  1  0.409  0.311  0.386  1.0
  O  O45  1  0.689  0.591  0.114  1.0
  O  O46  1  0.591  0.689  0.614  1.0
  O  O47  1  0.311  0.409  0.886  1.0
  O  O48  1  0.515  0.417  0.138  1.0
  O  O49  1  0.583  0.485  0.362  1.0
  O  O50  1  0.485  0.583  0.862  1.0
  O  O51  1  0.417  0.515  0.638  1.0
[/CIF]
.