The material structure described by Mo5Te3O18 crystallizes in the monoclinic C2 space group. There are six inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(10), one O(12), one O(18), one O(2), and one O(9) atom to form distorted MoO6 octahedra that share corners with two equivalent Te(2)O5 square pyramids,  an edgeedge with one Mo(4)O6 octahedra, and  an edgeedge with one Te(1)O4 trigonal pyramid. In the second Mo site, Mo(2) is bonded to one O(11), one O(14), one O(15), one O(16), one O(4), and one O(8) atom to form distorted MoO6 octahedra that share  a cornercorner with one Mo(6)O6 octahedra, corners with two equivalent Te(2)O5 square pyramids, and  an edgeedge with one Mo(4)O6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the third Mo site, Mo(3) is bonded in a 6-coordinate geometry to one O(12), one O(13), one O(16), one O(2), one O(3), and one O(8) atom. In the fourth Mo site, Mo(4) is bonded to one O(10), one O(11), one O(12), one O(16), one O(17), and one O(5) atom to form distorted MoO6 octahedra that share  a cornercorner with one Te(2)O5 square pyramid,  an edgeedge with one Mo(1)O6 octahedra,  an edgeedge with one Mo(2)O6 octahedra, and  an edgeedge with one Te(1)O4 trigonal pyramid. In the fifth Mo site, Mo(5) is bonded in a 6-coordinate geometry to two equivalent O(17), two equivalent O(18), and two equivalent O(6) atoms. In the sixth Mo site, Mo(6) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(7) atoms to form MoO6 octahedra that share corners with two equivalent Mo(2)O6 octahedra and edges with two equivalent Te(2)O5 square pyramids. The corner-sharing octahedral tilt angles are 48°. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(1), one O(10), one O(17), and one O(6) atom to form distorted TeO4 trigonal pyramids that share  an edgeedge with one Mo(1)O6 octahedra and  an edgeedge with one Mo(4)O6 octahedra. In the second Te site, Te(2) is bonded to one O(11), one O(18), one O(2), one O(4), and one O(7) atom to form TeO5 square pyramids that share  a cornercorner with one Mo(4)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra, and  an edgeedge with one Mo(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-57°. In the third Te site, Te(3) is bonded in a 6-coordinate geometry to one O(14), one O(15), one O(16), one O(3), one O(5), and one O(8) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Mo(1) and one Te(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mo(1), one Mo(3), and one Te(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mo(3), one Mo(6), and one Te(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mo(2), one Mo(6), and one Te(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Mo(4) and one Te(3) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one Mo(5) and one Te(1) atom. In the seventh O site, O(7) is bonded in a water-like geometry to one Mo(6) and one Te(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Mo(2), one Mo(3), and one Te(3) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one Mo(1) atom. In the tenth O site, O(10) is bonded in a trigonal non-coplanar geometry to one Mo(1), one Mo(4), and one Te(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Mo(2), one Mo(4), and one Te(2) atom. In the twelfth O site, O(12) is bonded in a trigonal non-coplanar geometry to one Mo(1), one Mo(3), and one Mo(4) atom. In the thirteenth O site, O(13) is bonded in a single-bond geometry to one Mo(3) atom. In the fourteenth O site, O(14) is bonded in a single-bond geometry to one Mo(2) and one Te(3) atom. In the fifteenth O site, O(15) is bonded in a water-like geometry to one Mo(2) and one Te(3) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal pyramidal geometry to one Mo(2), one Mo(3), one Mo(4), and one Te(3) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Mo(4), one Mo(5), and one Te(1) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Mo(1), one Mo(5), and one Te(2) atom. is represented by the CIF file [CIF]
data_Te3Mo5O18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.864
_cell_length_b   8.864
_cell_length_c   11.496
_cell_angle_alpha   81.363
_cell_angle_beta   81.363
_cell_angle_gamma   65.104
_symmetry_Int_Tables_number   1
_cell_volume   806.122
_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
  Te  Te0  1  0.968  0.359  0.948  1.0
  Te  Te1  1  0.181  0.801  0.264  1.0
  Te  Te2  1  0.199  0.819  0.736  1.0
  Te  Te3  1  0.818  0.528  0.461  1.0
  Te  Te4  1  0.472  0.182  0.539  1.0
  Te  Te5  1  0.641  0.032  0.052  1.0
  Mo  Mo6  1  0.513  0.774  0.973  1.0
  Mo  Mo7  1  0.164  0.125  0.478  1.0
  Mo  Mo8  1  0.363  0.343  0.282  1.0
  Mo  Mo9  1  0.722  0.969  0.775  1.0
  Mo  Mo10  1  0.657  0.637  0.718  1.0
  Mo  Mo11  1  0.048  0.952  0.000  1.0
  Mo  Mo12  1  0.353  0.647  0.500  1.0
  Mo  Mo13  1  0.031  0.278  0.225  1.0
  Mo  Mo14  1  0.875  0.836  0.522  1.0
  Mo  Mo15  1  0.226  0.487  0.027  1.0
  O  O16  1  0.169  0.384  0.894  1.0
  O  O17  1  0.430  0.765  0.809  1.0
  O  O18  1  0.593  0.608  0.554  1.0
  O  O19  1  0.111  0.730  0.439  1.0
  O  O20  1  0.235  0.570  0.191  1.0
  O  O21  1  0.270  0.889  0.561  1.0
  O  O22  1  0.826  0.359  0.287  1.0
  O  O23  1  0.055  0.120  0.879  1.0
  O  O24  1  0.291  0.605  0.686  1.0
  O  O25  1  0.418  0.117  0.399  1.0
  O  O26  1  0.591  0.572  0.035  1.0
  O  O27  1  0.987  0.473  0.088  1.0
  O  O28  1  0.948  0.856  0.678  1.0
  O  O29  1  0.725  0.724  0.847  1.0
  O  O30  1  0.428  0.409  0.965  1.0
  O  O31  1  0.564  0.283  0.221  1.0
  O  O32  1  0.800  0.036  0.450  1.0
  O  O33  1  0.276  0.275  0.153  1.0
  O  O34  1  0.392  0.407  0.446  1.0
  O  O35  1  0.964  0.200  0.550  1.0
  O  O36  1  0.812  0.736  0.391  1.0
  O  O37  1  0.653  0.889  0.634  1.0
  O  O38  1  0.880  0.945  0.121  1.0
  O  O39  1  0.717  0.436  0.779  1.0
  O  O40  1  0.824  0.988  0.916  1.0
  O  O41  1  0.132  0.731  0.935  1.0
  O  O42  1  0.527  0.013  0.912  1.0
  O  O43  1  0.641  0.174  0.713  1.0
  O  O44  1  0.144  0.052  0.322  1.0
  O  O45  1  0.111  0.347  0.366  1.0
  O  O46  1  0.264  0.188  0.609  1.0
  O  O47  1  0.269  0.868  0.065  1.0
  O  O48  1  0.395  0.709  0.314  1.0
  O  O49  1  0.883  0.582  0.601  1.0
  O  O50  1  0.012  0.176  0.084  1.0
  O  O51  1  0.616  0.831  0.106  1.0
[/CIF]
.
The material structure described by Mo5Te3O18 crystallizes in the monoclinic C2 space group. There are six inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(10), one O(12), one O(18), one O(2), and one O(9) atom to form distorted MoO6 octahedra that share corners with two equivalent Te(2)O5 square pyramids,  an edgeedge with one Mo(4)O6 octahedra, and  an edgeedge with one Te(1)O4 trigonal pyramid. In the second Mo site, Mo(2) is bonded to one O(11), one O(14), one O(15), one O(16), one O(4), and one O(8) atom to form distorted MoO6 octahedra that share  a cornercorner with one Mo(6)O6 octahedra, corners with two equivalent Te(2)O5 square pyramids, and  an edgeedge with one Mo(4)O6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the third Mo site, Mo(3) is bonded in a 6-coordinate geometry to one O(12), one O(13), one O(16), one O(2), one O(3), and one O(8) atom. In the fourth Mo site, Mo(4) is bonded to one O(10), one O(11), one O(12), one O(16), one O(17), and one O(5) atom to form distorted MoO6 octahedra that share  a cornercorner with one Te(2)O5 square pyramid,  an edgeedge with one Mo(1)O6 octahedra,  an edgeedge with one Mo(2)O6 octahedra, and  an edgeedge with one Te(1)O4 trigonal pyramid. In the fifth Mo site, Mo(5) is bonded in a 6-coordinate geometry to two equivalent O(17), two equivalent O(18), and two equivalent O(6) atoms. In the sixth Mo site, Mo(6) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(7) atoms to form MoO6 octahedra that share corners with two equivalent Mo(2)O6 octahedra and edges with two equivalent Te(2)O5 square pyramids. The corner-sharing octahedral tilt angles are 48°. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(1), one O(10), one O(17), and one O(6) atom to form distorted TeO4 trigonal pyramids that share  an edgeedge with one Mo(1)O6 octahedra and  an edgeedge with one Mo(4)O6 octahedra. In the second Te site, Te(2) is bonded to one O(11), one O(18), one O(2), one O(4), and one O(7) atom to form TeO5 square pyramids that share  a cornercorner with one Mo(4)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra, and  an edgeedge with one Mo(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-57°. In the third Te site, Te(3) is bonded in a 6-coordinate geometry to one O(14), one O(15), one O(16), one O(3), one O(5), and one O(8) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Mo(1) and one Te(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mo(1), one Mo(3), and one Te(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mo(3), one Mo(6), and one Te(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mo(2), one Mo(6), and one Te(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Mo(4) and one Te(3) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one Mo(5) and one Te(1) atom. In the seventh O site, O(7) is bonded in a water-like geometry to one Mo(6) and one Te(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Mo(2), one Mo(3), and one Te(3) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one Mo(1) atom. In the tenth O site, O(10) is bonded in a trigonal non-coplanar geometry to one Mo(1), one Mo(4), and one Te(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Mo(2), one Mo(4), and one Te(2) atom. In the twelfth O site, O(12) is bonded in a trigonal non-coplanar geometry to one Mo(1), one Mo(3), and one Mo(4) atom. In the thirteenth O site, O(13) is bonded in a single-bond geometry to one Mo(3) atom. In the fourteenth O site, O(14) is bonded in a single-bond geometry to one Mo(2) and one Te(3) atom. In the fifteenth O site, O(15) is bonded in a water-like geometry to one Mo(2) and one Te(3) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal pyramidal geometry to one Mo(2), one Mo(3), one Mo(4), and one Te(3) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Mo(4), one Mo(5), and one Te(1) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Mo(1), one Mo(5), and one Te(2) atom. is represented by the CIF file [CIF]
data_Te3Mo5O18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.864
_cell_length_b   8.864
_cell_length_c   11.496
_cell_angle_alpha   81.363
_cell_angle_beta   81.363
_cell_angle_gamma   65.104
_symmetry_Int_Tables_number   1
_cell_volume   806.122
_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
  Te  Te0  1  0.968  0.359  0.948  1.0
  Te  Te1  1  0.181  0.801  0.264  1.0
  Te  Te2  1  0.199  0.819  0.736  1.0
  Te  Te3  1  0.818  0.528  0.461  1.0
  Te  Te4  1  0.472  0.182  0.539  1.0
  Te  Te5  1  0.641  0.032  0.052  1.0
  Mo  Mo6  1  0.513  0.774  0.973  1.0
  Mo  Mo7  1  0.164  0.125  0.478  1.0
  Mo  Mo8  1  0.363  0.343  0.282  1.0
  Mo  Mo9  1  0.722  0.969  0.775  1.0
  Mo  Mo10  1  0.657  0.637  0.718  1.0
  Mo  Mo11  1  0.048  0.952  0.000  1.0
  Mo  Mo12  1  0.353  0.647  0.500  1.0
  Mo  Mo13  1  0.031  0.278  0.225  1.0
  Mo  Mo14  1  0.875  0.836  0.522  1.0
  Mo  Mo15  1  0.226  0.487  0.027  1.0
  O  O16  1  0.169  0.384  0.894  1.0
  O  O17  1  0.430  0.765  0.809  1.0
  O  O18  1  0.593  0.608  0.554  1.0
  O  O19  1  0.111  0.730  0.439  1.0
  O  O20  1  0.235  0.570  0.191  1.0
  O  O21  1  0.270  0.889  0.561  1.0
  O  O22  1  0.826  0.359  0.287  1.0
  O  O23  1  0.055  0.120  0.879  1.0
  O  O24  1  0.291  0.605  0.686  1.0
  O  O25  1  0.418  0.117  0.399  1.0
  O  O26  1  0.591  0.572  0.035  1.0
  O  O27  1  0.987  0.473  0.088  1.0
  O  O28  1  0.948  0.856  0.678  1.0
  O  O29  1  0.725  0.724  0.847  1.0
  O  O30  1  0.428  0.409  0.965  1.0
  O  O31  1  0.564  0.283  0.221  1.0
  O  O32  1  0.800  0.036  0.450  1.0
  O  O33  1  0.276  0.275  0.153  1.0
  O  O34  1  0.392  0.407  0.446  1.0
  O  O35  1  0.964  0.200  0.550  1.0
  O  O36  1  0.812  0.736  0.391  1.0
  O  O37  1  0.653  0.889  0.634  1.0
  O  O38  1  0.880  0.945  0.121  1.0
  O  O39  1  0.717  0.436  0.779  1.0
  O  O40  1  0.824  0.988  0.916  1.0
  O  O41  1  0.132  0.731  0.935  1.0
  O  O42  1  0.527  0.013  0.912  1.0
  O  O43  1  0.641  0.174  0.713  1.0
  O  O44  1  0.144  0.052  0.322  1.0
  O  O45  1  0.111  0.347  0.366  1.0
  O  O46  1  0.264  0.188  0.609  1.0
  O  O47  1  0.269  0.868  0.065  1.0
  O  O48  1  0.395  0.709  0.314  1.0
  O  O49  1  0.883  0.582  0.601  1.0
  O  O50  1  0.012  0.176  0.084  1.0
  O  O51  1  0.616  0.831  0.106  1.0
[/CIF]
.