The material described by CH3S is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four dimethyl disulfide molecules. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal non-coplanar geometry to one H(1), one H(4), one H(5), and one S(2) atom. In the second C site, C(2) is bonded in a trigonal non-coplanar geometry to one H(2), one H(3), one H(6), and one S(1) atom. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(3) is bonded in a single-bond geometry to one C(2) atom. In the third H site, H(5) is bonded in a single-bond geometry to one C(1) atom. In the fourth H site, H(2) is bonded in a single-bond geometry to one C(2) atom. In the fifth H site, H(6) is bonded in a single-bond geometry to one C(2) atom. In the sixth H site, H(4) is bonded in a single-bond geometry to one C(1) atom. There are two inequivalent S sites. In the first S site, S(2) is bonded in a water-like geometry to one C(1) and one S(1) atom. In the second S site, S(1) is bonded in a water-like geometry to one C(2) and one S(2) atom. is represented by the CIF file [CIF]
data_H3CS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.653
_cell_length_b   8.746
_cell_length_c   9.006
_cell_angle_alpha   85.855
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   522.699
_cell_formula_units_Z   8
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
  H  H0  1  0.169  0.895  0.583  1.0
  H  H1  1  0.729  0.097  0.972  1.0
  H  H2  1  0.864  0.143  0.800  1.0
  H  H3  1  0.591  0.351  0.609  1.0
  H  H4  1  0.061  0.738  0.492  1.0
  H  H5  1  0.271  0.903  0.028  1.0
  H  H6  1  0.632  0.452  0.885  1.0
  H  H7  1  0.331  0.395  0.583  1.0
  H  H8  1  0.136  0.857  0.200  1.0
  H  H9  1  0.831  0.105  0.417  1.0
  H  H10  1  0.636  0.643  0.800  1.0
  H  H11  1  0.771  0.597  0.972  1.0
  H  H12  1  0.439  0.238  0.492  1.0
  H  H13  1  0.229  0.403  0.028  1.0
  H  H14  1  0.868  0.952  0.885  1.0
  H  H15  1  0.909  0.851  0.609  1.0
  H  H16  1  0.669  0.605  0.417  1.0
  H  H17  1  0.368  0.548  0.115  1.0
  H  H18  1  0.091  0.149  0.391  1.0
  H  H19  1  0.561  0.762  0.508  1.0
  H  H20  1  0.409  0.649  0.391  1.0
  H  H21  1  0.364  0.357  0.200  1.0
  H  H22  1  0.939  0.262  0.508  1.0
  H  H23  1  0.132  0.048  0.115  1.0
  C  C24  1  0.058  0.802  0.593  1.0
  C  C25  1  0.724  0.556  0.865  1.0
  C  C26  1  0.442  0.302  0.593  1.0
  C  C27  1  0.942  0.198  0.407  1.0
  C  C28  1  0.558  0.698  0.407  1.0
  C  C29  1  0.224  0.944  0.135  1.0
  C  C30  1  0.276  0.444  0.135  1.0
  C  C31  1  0.776  0.056  0.865  1.0
  S  S32  1  0.558  0.997  0.761  1.0
  S  S33  1  0.365  0.179  0.755  1.0
  S  S34  1  0.942  0.497  0.761  1.0
  S  S35  1  0.058  0.503  0.239  1.0
  S  S36  1  0.865  0.321  0.245  1.0
  S  S37  1  0.635  0.821  0.245  1.0
  S  S38  1  0.135  0.679  0.755  1.0
  S  S39  1  0.442  0.003  0.239  1.0
[/CIF]
.
The material described by CH3S is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four dimethyl disulfide molecules. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal non-coplanar geometry to one H(1), one H(4), one H(5), and one S(2) atom. In the second C site, C(2) is bonded in a trigonal non-coplanar geometry to one H(2), one H(3), one H(6), and one S(1) atom. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(3) is bonded in a single-bond geometry to one C(2) atom. In the third H site, H(5) is bonded in a single-bond geometry to one C(1) atom. In the fourth H site, H(2) is bonded in a single-bond geometry to one C(2) atom. In the fifth H site, H(6) is bonded in a single-bond geometry to one C(2) atom. In the sixth H site, H(4) is bonded in a single-bond geometry to one C(1) atom. There are two inequivalent S sites. In the first S site, S(2) is bonded in a water-like geometry to one C(1) and one S(1) atom. In the second S site, S(1) is bonded in a water-like geometry to one C(2) and one S(2) atom. is represented by the CIF file [CIF]
data_H3CS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.653
_cell_length_b   8.746
_cell_length_c   9.006
_cell_angle_alpha   85.855
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   522.699
_cell_formula_units_Z   8
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
  H  H0  1  0.169  0.895  0.583  1.0
  H  H1  1  0.729  0.097  0.972  1.0
  H  H2  1  0.864  0.143  0.800  1.0
  H  H3  1  0.591  0.351  0.609  1.0
  H  H4  1  0.061  0.738  0.492  1.0
  H  H5  1  0.271  0.903  0.028  1.0
  H  H6  1  0.632  0.452  0.885  1.0
  H  H7  1  0.331  0.395  0.583  1.0
  H  H8  1  0.136  0.857  0.200  1.0
  H  H9  1  0.831  0.105  0.417  1.0
  H  H10  1  0.636  0.643  0.800  1.0
  H  H11  1  0.771  0.597  0.972  1.0
  H  H12  1  0.439  0.238  0.492  1.0
  H  H13  1  0.229  0.403  0.028  1.0
  H  H14  1  0.868  0.952  0.885  1.0
  H  H15  1  0.909  0.851  0.609  1.0
  H  H16  1  0.669  0.605  0.417  1.0
  H  H17  1  0.368  0.548  0.115  1.0
  H  H18  1  0.091  0.149  0.391  1.0
  H  H19  1  0.561  0.762  0.508  1.0
  H  H20  1  0.409  0.649  0.391  1.0
  H  H21  1  0.364  0.357  0.200  1.0
  H  H22  1  0.939  0.262  0.508  1.0
  H  H23  1  0.132  0.048  0.115  1.0
  C  C24  1  0.058  0.802  0.593  1.0
  C  C25  1  0.724  0.556  0.865  1.0
  C  C26  1  0.442  0.302  0.593  1.0
  C  C27  1  0.942  0.198  0.407  1.0
  C  C28  1  0.558  0.698  0.407  1.0
  C  C29  1  0.224  0.944  0.135  1.0
  C  C30  1  0.276  0.444  0.135  1.0
  C  C31  1  0.776  0.056  0.865  1.0
  S  S32  1  0.558  0.997  0.761  1.0
  S  S33  1  0.365  0.179  0.755  1.0
  S  S34  1  0.942  0.497  0.761  1.0
  S  S35  1  0.058  0.503  0.239  1.0
  S  S36  1  0.865  0.321  0.245  1.0
  S  S37  1  0.635  0.821  0.245  1.0
  S  S38  1  0.135  0.679  0.755  1.0
  S  S39  1  0.442  0.003  0.239  1.0
[/CIF]
.