The material described by MoN2S2Cl5 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one MoN2S2Cl5 cluster. Mo(1) is bonded in an octahedral geometry to one N(1), one N(2), one Cl(1), one Cl(3), one Cl(4), and one Cl(5) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a linear geometry to one Mo(1) and one S(2) atom. In the second N site, N(2) is bonded in a distorted T-shaped geometry to one Mo(1) and two equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in an L-shaped geometry to two equivalent N(2) atoms. In the second S site, S(2) is bonded in a water-like geometry to one N(1) and one Cl(2) atom. There are five inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Mo(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one S(2) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Mo(1) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Mo(1) atom. In the fifth Cl site, Cl(5) is bonded in a single-bond geometry to one Mo(1) atom. is represented by the CIF card [CIF]
data_MoS2N2Cl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.348
_cell_length_b   7.683
_cell_length_c   10.201
_cell_angle_alpha   75.161
_cell_angle_beta   81.332
_cell_angle_gamma   84.618
_symmetry_Int_Tables_number   1
_cell_volume   549.389
_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
  Mo  Mo0  1  0.194  0.155  0.234  1.0
  Mo  Mo1  1  0.806  0.845  0.766  1.0
  S  S2  1  0.969  0.589  0.084  1.0
  S  S3  1  0.031  0.411  0.916  1.0
  S  S4  1  0.391  0.809  0.449  1.0
  S  S5  1  0.609  0.191  0.551  1.0
  N  N6  1  0.702  0.027  0.649  1.0
  N  N7  1  0.063  0.386  0.077  1.0
  N  N8  1  0.298  0.973  0.351  1.0
  N  N9  1  0.937  0.614  0.923  1.0
  Cl  Cl10  1  0.905  0.638  0.634  1.0
  Cl  Cl11  1  0.511  0.646  0.323  1.0
  Cl  Cl12  1  0.237  0.041  0.041  1.0
  Cl  Cl13  1  0.529  0.695  0.844  1.0
  Cl  Cl14  1  0.763  0.959  0.959  1.0
  Cl  Cl15  1  0.095  0.362  0.366  1.0
  Cl  Cl16  1  0.102  0.962  0.706  1.0
  Cl  Cl17  1  0.489  0.354  0.677  1.0
  Cl  Cl18  1  0.898  0.038  0.294  1.0
  Cl  Cl19  1  0.471  0.305  0.156  1.0
[/CIF]
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The material described by MoN2S2Cl5 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one MoN2S2Cl5 cluster. Mo(1) is bonded in an octahedral geometry to one N(1), one N(2), one Cl(1), one Cl(3), one Cl(4), and one Cl(5) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a linear geometry to one Mo(1) and one S(2) atom. In the second N site, N(2) is bonded in a distorted T-shaped geometry to one Mo(1) and two equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in an L-shaped geometry to two equivalent N(2) atoms. In the second S site, S(2) is bonded in a water-like geometry to one N(1) and one Cl(2) atom. There are five inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Mo(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one S(2) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Mo(1) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Mo(1) atom. In the fifth Cl site, Cl(5) is bonded in a single-bond geometry to one Mo(1) atom. is represented by the CIF card [CIF]
data_MoS2N2Cl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.348
_cell_length_b   7.683
_cell_length_c   10.201
_cell_angle_alpha   75.161
_cell_angle_beta   81.332
_cell_angle_gamma   84.618
_symmetry_Int_Tables_number   1
_cell_volume   549.389
_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
  Mo  Mo0  1  0.194  0.155  0.234  1.0
  Mo  Mo1  1  0.806  0.845  0.766  1.0
  S  S2  1  0.969  0.589  0.084  1.0
  S  S3  1  0.031  0.411  0.916  1.0
  S  S4  1  0.391  0.809  0.449  1.0
  S  S5  1  0.609  0.191  0.551  1.0
  N  N6  1  0.702  0.027  0.649  1.0
  N  N7  1  0.063  0.386  0.077  1.0
  N  N8  1  0.298  0.973  0.351  1.0
  N  N9  1  0.937  0.614  0.923  1.0
  Cl  Cl10  1  0.905  0.638  0.634  1.0
  Cl  Cl11  1  0.511  0.646  0.323  1.0
  Cl  Cl12  1  0.237  0.041  0.041  1.0
  Cl  Cl13  1  0.529  0.695  0.844  1.0
  Cl  Cl14  1  0.763  0.959  0.959  1.0
  Cl  Cl15  1  0.095  0.362  0.366  1.0
  Cl  Cl16  1  0.102  0.962  0.706  1.0
  Cl  Cl17  1  0.489  0.354  0.677  1.0
  Cl  Cl18  1  0.898  0.038  0.294  1.0
  Cl  Cl19  1  0.471  0.305  0.156  1.0
[/CIF]
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