The material structure described by Mo3S13(C4NH10)2 is Indium-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of four tetramethylammonium molecules and two Mo3S13 clusters. In each Mo3S13 cluster, there are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 7-coordinate geometry to one S(1), one S(3), one S(9), two equivalent S(6), and two equivalent S(8) atoms. In the second Mo site, Mo(2) is bonded in a 7-coordinate geometry to one S(2), one S(4), one S(5), one S(6), one S(7), one S(8), and one S(9) atom. There are nine inequivalent S sites. In the first S site, S(3) is bonded in a 2-coordinate geometry to one Mo(1) and one S(1) atom. In the second S site, S(4) is bonded in a 2-coordinate geometry to one Mo(2) and one S(2) atom. In the third S site, S(5) is bonded in a 3-coordinate geometry to two equivalent Mo(2) and one S(7) atom. In the fourth S site, S(6) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one S(8) atom. In the fifth S site, S(7) is bonded in a 3-coordinate geometry to two equivalent Mo(2) and one S(5) atom. In the sixth S site, S(8) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one S(6) atom. In the seventh S site, S(9) is bonded in a 3-coordinate geometry to one Mo(1) and two equivalent Mo(2) atoms. In the eighth S site, S(1) is bonded in a 2-coordinate geometry to one Mo(1) and one S(3) atom. In the ninth S site, S(2) is bonded in a 2-coordinate geometry to one Mo(2) and one S(4) atom. is represented by the CIF file [CIF]
data_Mo3H20C8S13N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.569
_cell_length_b   11.569
_cell_length_c   5.959
_cell_angle_alpha   89.874
_cell_angle_beta   89.874
_cell_angle_gamma   120.168
_symmetry_Int_Tables_number   1
_cell_volume   689.487
_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
  Mo  Mo0  1  0.862  0.862  0.016  1.0
  Mo  Mo1  1  0.138  0.000  0.016  1.0
  Mo  Mo2  1  0.000  0.138  0.016  1.0
  H  H3  1  0.751  0.208  0.486  1.0
  H  H4  1  0.794  0.544  0.494  1.0
  H  H5  1  0.458  0.249  0.489  1.0
  H  H6  1  0.249  0.458  0.489  1.0
  H  H7  1  0.544  0.794  0.494  1.0
  H  H8  1  0.208  0.751  0.486  1.0
  H  H9  1  0.571  0.124  0.477  1.0
  H  H10  1  0.878  0.450  0.482  1.0
  H  H11  1  0.552  0.429  0.472  1.0
  H  H12  1  0.429  0.552  0.472  1.0
  H  H13  1  0.450  0.878  0.482  1.0
  H  H14  1  0.124  0.571  0.477  1.0
  H  H15  1  0.658  0.207  0.730  1.0
  H  H16  1  0.793  0.449  0.737  1.0
  H  H17  1  0.551  0.346  0.729  1.0
  H  H18  1  0.346  0.551  0.729  1.0
  H  H19  1  0.449  0.793  0.737  1.0
  H  H20  1  0.207  0.658  0.730  1.0
  H  H21  1  0.573  0.245  0.174  1.0
  H  H22  1  0.245  0.573  0.174  1.0
  C  C23  1  0.671  0.337  0.211  1.0
  C  C24  1  0.337  0.671  0.211  1.0
  C  C25  1  0.662  0.208  0.545  1.0
  C  C26  1  0.793  0.454  0.553  1.0
  C  C27  1  0.548  0.340  0.545  1.0
  C  C28  1  0.340  0.548  0.545  1.0
  C  C29  1  0.454  0.793  0.553  1.0
  C  C30  1  0.208  0.662  0.545  1.0
  S  S31  1  0.693  0.693  0.263  1.0
  S  S32  1  0.304  0.998  0.263  1.0
  S  S33  1  0.998  0.304  0.263  1.0
  S  S34  1  0.652  0.652  0.933  1.0
  S  S35  1  0.347  0.000  0.932  1.0
  S  S36  1  0.000  0.347  0.932  1.0
  S  S37  1  0.251  0.251  0.036  1.0
  S  S38  1  0.749  1.000  0.038  1.0
  S  S39  1  1.000  0.749  0.038  1.0
  S  S40  1  0.167  0.167  0.737  1.0
  S  S41  1  0.834  0.000  0.738  1.0
  S  S42  1  0.000  0.834  0.738  1.0
  S  S43  1  0.999  0.999  0.314  1.0
  N  N44  1  0.669  0.335  0.464  1.0
  N  N45  1  0.335  0.669  0.464  1.0
[/CIF]
.
The material structure described by Mo3S13(C4NH10)2 is Indium-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of four tetramethylammonium molecules and two Mo3S13 clusters. In each Mo3S13 cluster, there are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 7-coordinate geometry to one S(1), one S(3), one S(9), two equivalent S(6), and two equivalent S(8) atoms. In the second Mo site, Mo(2) is bonded in a 7-coordinate geometry to one S(2), one S(4), one S(5), one S(6), one S(7), one S(8), and one S(9) atom. There are nine inequivalent S sites. In the first S site, S(3) is bonded in a 2-coordinate geometry to one Mo(1) and one S(1) atom. In the second S site, S(4) is bonded in a 2-coordinate geometry to one Mo(2) and one S(2) atom. In the third S site, S(5) is bonded in a 3-coordinate geometry to two equivalent Mo(2) and one S(7) atom. In the fourth S site, S(6) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one S(8) atom. In the fifth S site, S(7) is bonded in a 3-coordinate geometry to two equivalent Mo(2) and one S(5) atom. In the sixth S site, S(8) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one S(6) atom. In the seventh S site, S(9) is bonded in a 3-coordinate geometry to one Mo(1) and two equivalent Mo(2) atoms. In the eighth S site, S(1) is bonded in a 2-coordinate geometry to one Mo(1) and one S(3) atom. In the ninth S site, S(2) is bonded in a 2-coordinate geometry to one Mo(2) and one S(4) atom. is represented by the CIF file [CIF]
data_Mo3H20C8S13N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.569
_cell_length_b   11.569
_cell_length_c   5.959
_cell_angle_alpha   89.874
_cell_angle_beta   89.874
_cell_angle_gamma   120.168
_symmetry_Int_Tables_number   1
_cell_volume   689.487
_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
  Mo  Mo0  1  0.862  0.862  0.016  1.0
  Mo  Mo1  1  0.138  0.000  0.016  1.0
  Mo  Mo2  1  0.000  0.138  0.016  1.0
  H  H3  1  0.751  0.208  0.486  1.0
  H  H4  1  0.794  0.544  0.494  1.0
  H  H5  1  0.458  0.249  0.489  1.0
  H  H6  1  0.249  0.458  0.489  1.0
  H  H7  1  0.544  0.794  0.494  1.0
  H  H8  1  0.208  0.751  0.486  1.0
  H  H9  1  0.571  0.124  0.477  1.0
  H  H10  1  0.878  0.450  0.482  1.0
  H  H11  1  0.552  0.429  0.472  1.0
  H  H12  1  0.429  0.552  0.472  1.0
  H  H13  1  0.450  0.878  0.482  1.0
  H  H14  1  0.124  0.571  0.477  1.0
  H  H15  1  0.658  0.207  0.730  1.0
  H  H16  1  0.793  0.449  0.737  1.0
  H  H17  1  0.551  0.346  0.729  1.0
  H  H18  1  0.346  0.551  0.729  1.0
  H  H19  1  0.449  0.793  0.737  1.0
  H  H20  1  0.207  0.658  0.730  1.0
  H  H21  1  0.573  0.245  0.174  1.0
  H  H22  1  0.245  0.573  0.174  1.0
  C  C23  1  0.671  0.337  0.211  1.0
  C  C24  1  0.337  0.671  0.211  1.0
  C  C25  1  0.662  0.208  0.545  1.0
  C  C26  1  0.793  0.454  0.553  1.0
  C  C27  1  0.548  0.340  0.545  1.0
  C  C28  1  0.340  0.548  0.545  1.0
  C  C29  1  0.454  0.793  0.553  1.0
  C  C30  1  0.208  0.662  0.545  1.0
  S  S31  1  0.693  0.693  0.263  1.0
  S  S32  1  0.304  0.998  0.263  1.0
  S  S33  1  0.998  0.304  0.263  1.0
  S  S34  1  0.652  0.652  0.933  1.0
  S  S35  1  0.347  0.000  0.932  1.0
  S  S36  1  0.000  0.347  0.932  1.0
  S  S37  1  0.251  0.251  0.036  1.0
  S  S38  1  0.749  1.000  0.038  1.0
  S  S39  1  1.000  0.749  0.038  1.0
  S  S40  1  0.167  0.167  0.737  1.0
  S  S41  1  0.834  0.000  0.738  1.0
  S  S42  1  0.000  0.834  0.738  1.0
  S  S43  1  0.999  0.999  0.314  1.0
  N  N44  1  0.669  0.335  0.464  1.0
  N  N45  1  0.335  0.669  0.464  1.0
[/CIF]
.