The material structure described by Mo3N2S13O is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Mo3N2S13O cluster. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one S(1), one S(10), one S(11), one S(3), one S(4), one S(6), and one S(8) 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(2), one S(3), one S(5), one S(7), and one S(8) atom to form distorted face-sharing MoS7 pentagonal bipyramids. In the third Mo site, Mo(3) is bonded in a 7-coordinate geometry to one S(10), one S(11), one S(12), one S(13), one S(4), one S(5), and one S(9) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a single-bond geometry to one S(6) atom. In the second N site, N(2) is bonded in a distorted water-like geometry to one S(7) and one O(1) 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(6) atom. In the second S site, S(2) is bonded in a 2-coordinate geometry to one Mo(2) and one S(7) atom. In the third S site, S(3) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one S(8) atom. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(3), and one S(11) atom. In the fifth S site, S(5) is bonded in a 3-coordinate geometry to one Mo(2), one Mo(3), and one S(12) atom. In the sixth S site, S(6) is bonded in a distorted single-bond geometry to one Mo(1), one N(1), and one S(1) atom. In the seventh S site, S(7) is bonded in a 3-coordinate geometry to one Mo(2), one N(2), and one S(2) atom. In the eighth S site, S(8) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one S(3) atom. In the ninth S site, S(9) is bonded in a 2-coordinate geometry to one Mo(3) and one S(13) atom. In the tenth S site, S(10) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Mo(3) 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(4) atom. In the twelfth S site, S(12) is bonded in a 3-coordinate geometry to one Mo(2), one Mo(3), and one S(5) atom. In the thirteenth S site, S(13) is bonded in a 2-coordinate geometry to one Mo(3) and one S(9) atom. O(1) is bonded in a single-bond geometry to one N(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mo3S13N2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.332
_cell_length_b   10.250
_cell_length_c   10.257
_cell_angle_alpha   118.293
_cell_angle_beta   106.332
_cell_angle_gamma   93.705
_symmetry_Int_Tables_number   1
_cell_volume   546.923
_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  0.128  0.324  0.167  1.0
  Mo  Mo1  1  0.965  0.163  0.838  1.0
  Mo  Mo2  1  0.999  0.996  0.998  1.0
  S  S3  1  0.514  0.503  0.368  1.0
  S  S4  1  0.112  0.146  0.637  1.0
  S  S5  1  0.808  0.364  0.002  1.0
  S  S6  1  0.174  0.165  0.299  1.0
  S  S7  1  0.873  0.874  0.701  1.0
  S  S8  1  0.237  0.595  0.392  1.0
  S  S9  1  0.789  0.161  0.583  1.0
  S  S10  1  0.110  0.449  0.003  1.0
  S  S11  1  0.196  0.803  0.001  1.0
  S  S12  1  0.312  0.152  0.004  1.0
  S  S13  1  0.850  0.173  0.198  1.0
  S  S14  1  0.648  0.978  0.799  1.0
  S  S15  1  0.871  0.758  0.986  1.0
  N  N16  1  0.220  0.755  0.458  1.0
  N  N17  1  0.871  0.411  0.632  1.0
  O  O18  1  0.066  0.447  0.666  1.0
[/CIF]
.
The material structure described by Mo3N2S13O is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Mo3N2S13O cluster. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one S(1), one S(10), one S(11), one S(3), one S(4), one S(6), and one S(8) 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(2), one S(3), one S(5), one S(7), and one S(8) atom to form distorted face-sharing MoS7 pentagonal bipyramids. In the third Mo site, Mo(3) is bonded in a 7-coordinate geometry to one S(10), one S(11), one S(12), one S(13), one S(4), one S(5), and one S(9) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a single-bond geometry to one S(6) atom. In the second N site, N(2) is bonded in a distorted water-like geometry to one S(7) and one O(1) 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(6) atom. In the second S site, S(2) is bonded in a 2-coordinate geometry to one Mo(2) and one S(7) atom. In the third S site, S(3) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one S(8) atom. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(3), and one S(11) atom. In the fifth S site, S(5) is bonded in a 3-coordinate geometry to one Mo(2), one Mo(3), and one S(12) atom. In the sixth S site, S(6) is bonded in a distorted single-bond geometry to one Mo(1), one N(1), and one S(1) atom. In the seventh S site, S(7) is bonded in a 3-coordinate geometry to one Mo(2), one N(2), and one S(2) atom. In the eighth S site, S(8) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one S(3) atom. In the ninth S site, S(9) is bonded in a 2-coordinate geometry to one Mo(3) and one S(13) atom. In the tenth S site, S(10) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Mo(3) 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(4) atom. In the twelfth S site, S(12) is bonded in a 3-coordinate geometry to one Mo(2), one Mo(3), and one S(5) atom. In the thirteenth S site, S(13) is bonded in a 2-coordinate geometry to one Mo(3) and one S(9) atom. O(1) is bonded in a single-bond geometry to one N(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mo3S13N2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.332
_cell_length_b   10.250
_cell_length_c   10.257
_cell_angle_alpha   118.293
_cell_angle_beta   106.332
_cell_angle_gamma   93.705
_symmetry_Int_Tables_number   1
_cell_volume   546.923
_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  0.128  0.324  0.167  1.0
  Mo  Mo1  1  0.965  0.163  0.838  1.0
  Mo  Mo2  1  0.999  0.996  0.998  1.0
  S  S3  1  0.514  0.503  0.368  1.0
  S  S4  1  0.112  0.146  0.637  1.0
  S  S5  1  0.808  0.364  0.002  1.0
  S  S6  1  0.174  0.165  0.299  1.0
  S  S7  1  0.873  0.874  0.701  1.0
  S  S8  1  0.237  0.595  0.392  1.0
  S  S9  1  0.789  0.161  0.583  1.0
  S  S10  1  0.110  0.449  0.003  1.0
  S  S11  1  0.196  0.803  0.001  1.0
  S  S12  1  0.312  0.152  0.004  1.0
  S  S13  1  0.850  0.173  0.198  1.0
  S  S14  1  0.648  0.978  0.799  1.0
  S  S15  1  0.871  0.758  0.986  1.0
  N  N16  1  0.220  0.755  0.458  1.0
  N  N17  1  0.871  0.411  0.632  1.0
  O  O18  1  0.066  0.447  0.666  1.0
[/CIF]
.