The material described by Mo3C4NS13C4N is Indium-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one C4N cluster and one Mo3C4NS13 cluster. In the C4N cluster, there are four inequivalent C sites. In the first C site, C(5) is bonded in a 1-coordinate geometry to one C(8) and one N(2) atom. In the second C site, C(6) is bonded in a distorted single-bond geometry to one C(8) and one N(2) atom. In the third C site, C(7) is bonded in a 1-coordinate geometry to one C(8) and one N(2) atom. In the fourth C site, C(8) is bonded in a 3-coordinate geometry to one C(5), one C(6), and one C(7) atom. N(2) is bonded in a 3-coordinate geometry to one C(5), one C(6), and one C(7) atom. In the Mo3C4NS13 cluster, there are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one S(1), one S(11), one S(12), one S(4), one S(7), one S(8), and one S(9) atom to form distorted face-sharing MoS7 pentagonal bipyramids. In the second Mo site, Mo(2) is bonded to one S(10), one S(12), one S(13), one S(2), one S(5), one S(7), and one S(9) atom to form distorted face-sharing MoS7 pentagonal bipyramids. In the third Mo site, Mo(3) is bonded to one S(10), one S(11), one S(13), one S(3), one S(6), one S(7), and one S(8) atom to form distorted face-sharing MoS7 pentagonal bipyramids. There are four inequivalent C sites. In the first C site, C(1) is bonded in a 4-coordinate geometry to one C(2), one C(3), one C(4), and one N(1) atom. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(1), one C(4), and one N(1) atom. In the third C site, C(3) is bonded in a 3-coordinate geometry to one C(1), one C(4), and one S(3) atom. In the fourth C site, C(4) is bonded in a 4-coordinate geometry to one C(1), one C(2), one C(3), and one N(1) atom. N(1) is bonded in a 3-coordinate geometry to one C(1), one C(2), and one C(4) atom. There are thirteen inequivalent S sites. In the first S site, S(1) is bonded in a 2-coordinate geometry to one Mo(1) and one S(4) atom. In the second S site, S(2) is bonded in a 2-coordinate geometry to one Mo(2) and one S(5) atom. In the third S site, S(3) is bonded in a distorted trigonal non-coplanar geometry to one Mo(3), one C(3), and one S(6) atom. In the fourth S site, S(4) is bonded in a 2-coordinate geometry to one Mo(1) and one S(1) atom. In the fifth S site, S(5) is bonded in a 2-coordinate geometry to one Mo(2) and one S(2) atom. In the sixth S site, S(6) is bonded in a 2-coordinate geometry to one Mo(3) and one S(3) atom. In the seventh S site, S(7) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the eighth S site, S(8) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(3), and one S(11) atom. In the ninth S site, S(9) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one S(12) atom. In the tenth S site, S(10) is bonded in a 3-coordinate geometry to one Mo(2), one Mo(3), and one S(13) atom. In the eleventh S site, S(11) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(3), and one S(8) atom. In the twelfth S site, S(12) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one S(9) atom. In the thirteenth S site, S(13) is bonded in a 3-coordinate geometry to one Mo(2), one Mo(3), and one S(10) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mo3C8S13N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.640
_cell_length_b   10.374
_cell_length_c   6.482
_cell_angle_alpha   97.357
_cell_angle_beta   84.680
_cell_angle_gamma   117.602
_symmetry_Int_Tables_number   1
_cell_volume   628.330
_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  0.479  0.821  0.609  1.0
  Mo  Mo1  1  0.333  0.523  0.593  1.0
  Mo  Mo2  1  0.189  0.685  0.613  1.0
  C  C3  1  0.944  0.908  0.111  1.0
  C  C4  1  0.945  0.037  0.015  1.0
  C  C5  1  0.005  0.849  0.941  1.0
  C  C6  1  0.060  0.000  0.909  1.0
  C  C7  1  0.599  0.235  0.969  1.0
  C  C8  1  0.630  0.409  0.045  1.0
  C  C9  1  0.762  0.357  0.048  1.0
  C  C10  1  0.699  0.366  0.851  1.0
  S  S11  1  0.660  0.016  0.827  1.0
  S  S12  1  0.334  0.337  0.793  1.0
  S  S13  1  0.966  0.678  0.816  1.0
  S  S14  1  0.703  0.041  0.526  1.0
  S  S15  1  0.337  0.285  0.490  1.0
  S  S16  1  0.978  0.701  0.508  1.0
  S  S17  1  0.328  0.687  0.886  1.0
  S  S18  1  0.336  0.956  0.657  1.0
  S  S19  1  0.597  0.660  0.608  1.0
  S  S20  1  0.067  0.414  0.625  1.0
  S  S21  1  0.339  0.856  0.367  1.0
  S  S22  1  0.514  0.656  0.336  1.0
  S  S23  1  0.159  0.488  0.347  1.0
  N  N24  1  0.068  0.057  0.135  1.0
  N  N25  1  0.635  0.309  0.184  1.0
[/CIF]
.
The material described by Mo3C4NS13C4N is Indium-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one C4N cluster and one Mo3C4NS13 cluster. In the C4N cluster, there are four inequivalent C sites. In the first C site, C(5) is bonded in a 1-coordinate geometry to one C(8) and one N(2) atom. In the second C site, C(6) is bonded in a distorted single-bond geometry to one C(8) and one N(2) atom. In the third C site, C(7) is bonded in a 1-coordinate geometry to one C(8) and one N(2) atom. In the fourth C site, C(8) is bonded in a 3-coordinate geometry to one C(5), one C(6), and one C(7) atom. N(2) is bonded in a 3-coordinate geometry to one C(5), one C(6), and one C(7) atom. In the Mo3C4NS13 cluster, there are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one S(1), one S(11), one S(12), one S(4), one S(7), one S(8), and one S(9) atom to form distorted face-sharing MoS7 pentagonal bipyramids. In the second Mo site, Mo(2) is bonded to one S(10), one S(12), one S(13), one S(2), one S(5), one S(7), and one S(9) atom to form distorted face-sharing MoS7 pentagonal bipyramids. In the third Mo site, Mo(3) is bonded to one S(10), one S(11), one S(13), one S(3), one S(6), one S(7), and one S(8) atom to form distorted face-sharing MoS7 pentagonal bipyramids. There are four inequivalent C sites. In the first C site, C(1) is bonded in a 4-coordinate geometry to one C(2), one C(3), one C(4), and one N(1) atom. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(1), one C(4), and one N(1) atom. In the third C site, C(3) is bonded in a 3-coordinate geometry to one C(1), one C(4), and one S(3) atom. In the fourth C site, C(4) is bonded in a 4-coordinate geometry to one C(1), one C(2), one C(3), and one N(1) atom. N(1) is bonded in a 3-coordinate geometry to one C(1), one C(2), and one C(4) atom. There are thirteen inequivalent S sites. In the first S site, S(1) is bonded in a 2-coordinate geometry to one Mo(1) and one S(4) atom. In the second S site, S(2) is bonded in a 2-coordinate geometry to one Mo(2) and one S(5) atom. In the third S site, S(3) is bonded in a distorted trigonal non-coplanar geometry to one Mo(3), one C(3), and one S(6) atom. In the fourth S site, S(4) is bonded in a 2-coordinate geometry to one Mo(1) and one S(1) atom. In the fifth S site, S(5) is bonded in a 2-coordinate geometry to one Mo(2) and one S(2) atom. In the sixth S site, S(6) is bonded in a 2-coordinate geometry to one Mo(3) and one S(3) atom. In the seventh S site, S(7) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the eighth S site, S(8) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(3), and one S(11) atom. In the ninth S site, S(9) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one S(12) atom. In the tenth S site, S(10) is bonded in a 3-coordinate geometry to one Mo(2), one Mo(3), and one S(13) atom. In the eleventh S site, S(11) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(3), and one S(8) atom. In the twelfth S site, S(12) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one S(9) atom. In the thirteenth S site, S(13) is bonded in a 3-coordinate geometry to one Mo(2), one Mo(3), and one S(10) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mo3C8S13N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.640
_cell_length_b   10.374
_cell_length_c   6.482
_cell_angle_alpha   97.357
_cell_angle_beta   84.680
_cell_angle_gamma   117.602
_symmetry_Int_Tables_number   1
_cell_volume   628.330
_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  0.479  0.821  0.609  1.0
  Mo  Mo1  1  0.333  0.523  0.593  1.0
  Mo  Mo2  1  0.189  0.685  0.613  1.0
  C  C3  1  0.944  0.908  0.111  1.0
  C  C4  1  0.945  0.037  0.015  1.0
  C  C5  1  0.005  0.849  0.941  1.0
  C  C6  1  0.060  0.000  0.909  1.0
  C  C7  1  0.599  0.235  0.969  1.0
  C  C8  1  0.630  0.409  0.045  1.0
  C  C9  1  0.762  0.357  0.048  1.0
  C  C10  1  0.699  0.366  0.851  1.0
  S  S11  1  0.660  0.016  0.827  1.0
  S  S12  1  0.334  0.337  0.793  1.0
  S  S13  1  0.966  0.678  0.816  1.0
  S  S14  1  0.703  0.041  0.526  1.0
  S  S15  1  0.337  0.285  0.490  1.0
  S  S16  1  0.978  0.701  0.508  1.0
  S  S17  1  0.328  0.687  0.886  1.0
  S  S18  1  0.336  0.956  0.657  1.0
  S  S19  1  0.597  0.660  0.608  1.0
  S  S20  1  0.067  0.414  0.625  1.0
  S  S21  1  0.339  0.856  0.367  1.0
  S  S22  1  0.514  0.656  0.336  1.0
  S  S23  1  0.159  0.488  0.347  1.0
  N  N24  1  0.068  0.057  0.135  1.0
  N  N25  1  0.635  0.309  0.184  1.0
[/CIF]
.