The material described by Mo3Te10I10 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two Mo3Te10I10 clusters. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 9-coordinate geometry to one Mo(2), one Mo(3), one Te(1), one Te(2), one Te(3), one Te(6), one Te(7), one Te(8), and one I(1) atom. In the second Mo site, Mo(2) is bonded in a 9-coordinate geometry to one Mo(1), one Mo(3), one Te(1), one Te(2), one Te(3), one Te(4), one Te(5), one Te(9), and one I(4) atom. In the third Mo site, Mo(3) is bonded in a 9-coordinate geometry to one Mo(1), one Mo(2), one Te(1), one Te(10), one Te(4), one Te(5), one Te(6), one Te(7), and one I(7) atom. There are ten inequivalent Te sites. In the first Te site, Te(1) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the second Te site, Te(2) is bonded in a 4-coordinate geometry to one Mo(1), one Mo(2), one Te(3), and one I(10) atom. In the third Te site, Te(3) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Te(2) atom. In the fourth Te site, Te(4) is bonded in a 4-coordinate geometry to one Mo(2), one Mo(3), one Te(5), and one I(10) atom. In the fifth Te site, Te(5) is bonded in a 3-coordinate geometry to one Mo(2), one Mo(3), and one Te(4) atom. In the sixth Te site, Te(6) is bonded in a 4-coordinate geometry to one Mo(1), one Mo(3), one Te(7), and one I(10) atom. In the seventh Te site, Te(7) is bonded in a 4-coordinate geometry to one Mo(1), one Mo(3), one Te(6), and one Te(8) atom. In the eighth Te site, Te(8) is bonded in a 4-coordinate geometry to one Mo(1), one Te(7), one I(1), one I(2), and one I(3) atom. In the ninth Te site, Te(9) is bonded in a 4-coordinate geometry to one Mo(2), one I(4), one I(5), and one I(6) atom. In the tenth Te site, Te(10) is bonded in a 4-coordinate geometry to one Mo(3), one I(7), one I(8), and one I(9) atom. There are ten inequivalent I sites. In the first I site, I(1) is bonded in a 2-coordinate geometry to one Mo(1) and one Te(8) atom. In the second I site, I(2) is bonded in a single-bond geometry to one Te(8) atom. In the third I site, I(3) is bonded in a single-bond geometry to one Te(8) atom. In the fourth I site, I(4) is bonded in a 2-coordinate geometry to one Mo(2) and one Te(9) atom. In the fifth I site, I(5) is bonded in a single-bond geometry to one Te(9) atom. In the sixth I site, I(6) is bonded in a single-bond geometry to one Te(9) atom. In the seventh I site, I(7) is bonded in a 2-coordinate geometry to one Mo(3) and one Te(10) atom. In the eighth I site, I(8) is bonded in a single-bond geometry to one Te(10) atom. In the ninth I site, I(9) is bonded in a single-bond geometry to one Te(10) atom. In the tenth I site, I(10) is bonded in a 3-coordinate geometry to one Te(2), one Te(4), and one Te(6) atom. is represented by the CIF card [CIF]
data_Te10Mo3I10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.009
_cell_length_b   11.026
_cell_length_c   17.882
_cell_angle_alpha   84.278
_cell_angle_beta   76.176
_cell_angle_gamma   67.230
_symmetry_Int_Tables_number   1
_cell_volume   1943.409
_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  0.942  0.763  0.725  1.0
  Te  Te1  1  0.058  0.237  0.275  1.0
  Te  Te2  1  0.719  0.488  0.719  1.0
  Te  Te3  1  0.281  0.512  0.281  1.0
  Te  Te4  1  0.877  0.571  0.600  1.0
  Te  Te5  1  0.123  0.429  0.400  1.0
  Te  Te6  1  0.823  0.470  0.900  1.0
  Te  Te7  1  0.177  0.530  0.100  1.0
  Te  Te8  1  0.051  0.526  0.873  1.0
  Te  Te9  1  0.949  0.474  0.127  1.0
  Te  Te10  1  0.534  0.750  0.860  1.0
  Te  Te11  1  0.466  0.250  0.140  1.0
  Te  Te12  1  0.604  0.963  0.822  1.0
  Te  Te13  1  0.396  0.037  0.178  1.0
  Te  Te14  1  0.662  0.969  0.627  1.0
  Te  Te15  1  0.338  0.031  0.373  1.0
  Te  Te16  1  0.185  0.433  0.645  1.0
  Te  Te17  1  0.815  0.567  0.355  1.0
  Te  Te18  1  0.925  0.845  0.928  1.0
  Te  Te19  1  0.075  0.155  0.072  1.0
  Mo  Mo20  1  0.711  0.742  0.721  1.0
  Mo  Mo21  1  0.289  0.258  0.279  1.0
  Mo  Mo22  1  0.936  0.523  0.750  1.0
  Mo  Mo23  1  0.064  0.477  0.250  1.0
  Mo  Mo24  1  0.794  0.726  0.861  1.0
  Mo  Mo25  1  0.206  0.274  0.139  1.0
  I  I26  1  0.479  0.817  0.650  1.0
  I  I27  1  0.521  0.183  0.350  1.0
  I  I28  1  0.796  0.898  0.476  1.0
  I  I29  1  0.204  0.102  0.524  1.0
  I  I30  1  0.823  0.108  0.651  1.0
  I  I31  1  0.177  0.892  0.349  1.0
  I  I32  1  0.074  0.237  0.736  1.0
  I  I33  1  0.926  0.763  0.264  1.0
  I  I34  1  0.391  0.382  0.723  1.0
  I  I35  1  0.609  0.618  0.277  1.0
  I  I36  1  0.228  0.647  0.555  1.0
  I  I37  1  0.772  0.353  0.445  1.0
  I  I38  1  0.689  0.783  0.025  1.0
  I  I39  1  0.311  0.217  0.975  1.0
  I  I40  1  0.782  0.116  0.927  1.0
  I  I41  1  0.218  0.884  0.073  1.0
  I  I42  1  0.164  0.846  0.822  1.0
  I  I43  1  0.836  0.154  0.178  1.0
  I  I44  1  0.538  0.445  0.887  1.0
  I  I45  1  0.462  0.555  0.113  1.0
[/CIF]
.
The material described by Mo3Te10I10 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two Mo3Te10I10 clusters. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 9-coordinate geometry to one Mo(2), one Mo(3), one Te(1), one Te(2), one Te(3), one Te(6), one Te(7), one Te(8), and one I(1) atom. In the second Mo site, Mo(2) is bonded in a 9-coordinate geometry to one Mo(1), one Mo(3), one Te(1), one Te(2), one Te(3), one Te(4), one Te(5), one Te(9), and one I(4) atom. In the third Mo site, Mo(3) is bonded in a 9-coordinate geometry to one Mo(1), one Mo(2), one Te(1), one Te(10), one Te(4), one Te(5), one Te(6), one Te(7), and one I(7) atom. There are ten inequivalent Te sites. In the first Te site, Te(1) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the second Te site, Te(2) is bonded in a 4-coordinate geometry to one Mo(1), one Mo(2), one Te(3), and one I(10) atom. In the third Te site, Te(3) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Te(2) atom. In the fourth Te site, Te(4) is bonded in a 4-coordinate geometry to one Mo(2), one Mo(3), one Te(5), and one I(10) atom. In the fifth Te site, Te(5) is bonded in a 3-coordinate geometry to one Mo(2), one Mo(3), and one Te(4) atom. In the sixth Te site, Te(6) is bonded in a 4-coordinate geometry to one Mo(1), one Mo(3), one Te(7), and one I(10) atom. In the seventh Te site, Te(7) is bonded in a 4-coordinate geometry to one Mo(1), one Mo(3), one Te(6), and one Te(8) atom. In the eighth Te site, Te(8) is bonded in a 4-coordinate geometry to one Mo(1), one Te(7), one I(1), one I(2), and one I(3) atom. In the ninth Te site, Te(9) is bonded in a 4-coordinate geometry to one Mo(2), one I(4), one I(5), and one I(6) atom. In the tenth Te site, Te(10) is bonded in a 4-coordinate geometry to one Mo(3), one I(7), one I(8), and one I(9) atom. There are ten inequivalent I sites. In the first I site, I(1) is bonded in a 2-coordinate geometry to one Mo(1) and one Te(8) atom. In the second I site, I(2) is bonded in a single-bond geometry to one Te(8) atom. In the third I site, I(3) is bonded in a single-bond geometry to one Te(8) atom. In the fourth I site, I(4) is bonded in a 2-coordinate geometry to one Mo(2) and one Te(9) atom. In the fifth I site, I(5) is bonded in a single-bond geometry to one Te(9) atom. In the sixth I site, I(6) is bonded in a single-bond geometry to one Te(9) atom. In the seventh I site, I(7) is bonded in a 2-coordinate geometry to one Mo(3) and one Te(10) atom. In the eighth I site, I(8) is bonded in a single-bond geometry to one Te(10) atom. In the ninth I site, I(9) is bonded in a single-bond geometry to one Te(10) atom. In the tenth I site, I(10) is bonded in a 3-coordinate geometry to one Te(2), one Te(4), and one Te(6) atom. is represented by the CIF card [CIF]
data_Te10Mo3I10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.009
_cell_length_b   11.026
_cell_length_c   17.882
_cell_angle_alpha   84.278
_cell_angle_beta   76.176
_cell_angle_gamma   67.230
_symmetry_Int_Tables_number   1
_cell_volume   1943.409
_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  0.942  0.763  0.725  1.0
  Te  Te1  1  0.058  0.237  0.275  1.0
  Te  Te2  1  0.719  0.488  0.719  1.0
  Te  Te3  1  0.281  0.512  0.281  1.0
  Te  Te4  1  0.877  0.571  0.600  1.0
  Te  Te5  1  0.123  0.429  0.400  1.0
  Te  Te6  1  0.823  0.470  0.900  1.0
  Te  Te7  1  0.177  0.530  0.100  1.0
  Te  Te8  1  0.051  0.526  0.873  1.0
  Te  Te9  1  0.949  0.474  0.127  1.0
  Te  Te10  1  0.534  0.750  0.860  1.0
  Te  Te11  1  0.466  0.250  0.140  1.0
  Te  Te12  1  0.604  0.963  0.822  1.0
  Te  Te13  1  0.396  0.037  0.178  1.0
  Te  Te14  1  0.662  0.969  0.627  1.0
  Te  Te15  1  0.338  0.031  0.373  1.0
  Te  Te16  1  0.185  0.433  0.645  1.0
  Te  Te17  1  0.815  0.567  0.355  1.0
  Te  Te18  1  0.925  0.845  0.928  1.0
  Te  Te19  1  0.075  0.155  0.072  1.0
  Mo  Mo20  1  0.711  0.742  0.721  1.0
  Mo  Mo21  1  0.289  0.258  0.279  1.0
  Mo  Mo22  1  0.936  0.523  0.750  1.0
  Mo  Mo23  1  0.064  0.477  0.250  1.0
  Mo  Mo24  1  0.794  0.726  0.861  1.0
  Mo  Mo25  1  0.206  0.274  0.139  1.0
  I  I26  1  0.479  0.817  0.650  1.0
  I  I27  1  0.521  0.183  0.350  1.0
  I  I28  1  0.796  0.898  0.476  1.0
  I  I29  1  0.204  0.102  0.524  1.0
  I  I30  1  0.823  0.108  0.651  1.0
  I  I31  1  0.177  0.892  0.349  1.0
  I  I32  1  0.074  0.237  0.736  1.0
  I  I33  1  0.926  0.763  0.264  1.0
  I  I34  1  0.391  0.382  0.723  1.0
  I  I35  1  0.609  0.618  0.277  1.0
  I  I36  1  0.228  0.647  0.555  1.0
  I  I37  1  0.772  0.353  0.445  1.0
  I  I38  1  0.689  0.783  0.025  1.0
  I  I39  1  0.311  0.217  0.975  1.0
  I  I40  1  0.782  0.116  0.927  1.0
  I  I41  1  0.218  0.884  0.073  1.0
  I  I42  1  0.164  0.846  0.822  1.0
  I  I43  1  0.836  0.154  0.178  1.0
  I  I44  1  0.538  0.445  0.887  1.0
  I  I45  1  0.462  0.555  0.113  1.0
[/CIF]
.