The material structure described by Rb2MoS3O crystallizes in the orthorhombic Pnma space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 9-coordinate geometry to three equivalent S(1), four equivalent S(2), and two equivalent O(1) atoms. In the second Rb site, Rb(2) is bonded in a 6-coordinate geometry to two equivalent S(1) and four equivalent S(2) atoms. Mo(1) is bonded in a distorted tetrahedral geometry to one S(1), two equivalent S(2), and one O(1) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to two equivalent Rb(2), three equivalent Rb(1), and one Mo(1) atom. In the second S site, S(2) is bonded in a 1-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), and one Mo(1) atom. O(1) is bonded in a distorted single-bond geometry to two equivalent Rb(1) and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2MoS3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.320
_cell_length_b   9.610
_cell_length_c   11.913
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   838.073
_cell_formula_units_Z   4
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
  Rb  Rb0  1  0.250  0.454  0.192  1.0
  Rb  Rb1  1  0.250  0.954  0.308  1.0
  Rb  Rb2  1  0.750  0.546  0.808  1.0
  Rb  Rb3  1  0.750  0.046  0.692  1.0
  Rb  Rb4  1  0.250  0.164  0.876  1.0
  Rb  Rb5  1  0.250  0.664  0.624  1.0
  Rb  Rb6  1  0.750  0.836  0.124  1.0
  Rb  Rb7  1  0.750  0.336  0.376  1.0
  Mo  Mo8  1  0.250  0.241  0.549  1.0
  Mo  Mo9  1  0.250  0.741  0.951  1.0
  Mo  Mo10  1  0.750  0.759  0.451  1.0
  Mo  Mo11  1  0.750  0.259  0.049  1.0
  S  S12  1  0.250  0.018  0.598  1.0
  S  S13  1  0.250  0.518  0.902  1.0
  S  S14  1  0.750  0.982  0.402  1.0
  S  S15  1  0.750  0.482  0.098  1.0
  S  S16  1  0.496  0.344  0.622  1.0
  S  S17  1  0.004  0.844  0.878  1.0
  S  S18  1  0.996  0.656  0.378  1.0
  S  S19  1  0.504  0.156  0.122  1.0
  S  S20  1  0.504  0.656  0.378  1.0
  S  S21  1  0.996  0.156  0.122  1.0
  S  S22  1  0.004  0.344  0.622  1.0
  S  S23  1  0.496  0.844  0.878  1.0
  O  O24  1  0.250  0.257  0.401  1.0
  O  O25  1  0.250  0.757  0.099  1.0
  O  O26  1  0.750  0.743  0.599  1.0
  O  O27  1  0.750  0.243  0.901  1.0
[/CIF]
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The material structure described by Rb2MoS3O crystallizes in the orthorhombic Pnma space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 9-coordinate geometry to three equivalent S(1), four equivalent S(2), and two equivalent O(1) atoms. In the second Rb site, Rb(2) is bonded in a 6-coordinate geometry to two equivalent S(1) and four equivalent S(2) atoms. Mo(1) is bonded in a distorted tetrahedral geometry to one S(1), two equivalent S(2), and one O(1) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to two equivalent Rb(2), three equivalent Rb(1), and one Mo(1) atom. In the second S site, S(2) is bonded in a 1-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), and one Mo(1) atom. O(1) is bonded in a distorted single-bond geometry to two equivalent Rb(1) and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2MoS3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.320
_cell_length_b   9.610
_cell_length_c   11.913
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   838.073
_cell_formula_units_Z   4
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
  Rb  Rb0  1  0.250  0.454  0.192  1.0
  Rb  Rb1  1  0.250  0.954  0.308  1.0
  Rb  Rb2  1  0.750  0.546  0.808  1.0
  Rb  Rb3  1  0.750  0.046  0.692  1.0
  Rb  Rb4  1  0.250  0.164  0.876  1.0
  Rb  Rb5  1  0.250  0.664  0.624  1.0
  Rb  Rb6  1  0.750  0.836  0.124  1.0
  Rb  Rb7  1  0.750  0.336  0.376  1.0
  Mo  Mo8  1  0.250  0.241  0.549  1.0
  Mo  Mo9  1  0.250  0.741  0.951  1.0
  Mo  Mo10  1  0.750  0.759  0.451  1.0
  Mo  Mo11  1  0.750  0.259  0.049  1.0
  S  S12  1  0.250  0.018  0.598  1.0
  S  S13  1  0.250  0.518  0.902  1.0
  S  S14  1  0.750  0.982  0.402  1.0
  S  S15  1  0.750  0.482  0.098  1.0
  S  S16  1  0.496  0.344  0.622  1.0
  S  S17  1  0.004  0.844  0.878  1.0
  S  S18  1  0.996  0.656  0.378  1.0
  S  S19  1  0.504  0.156  0.122  1.0
  S  S20  1  0.504  0.656  0.378  1.0
  S  S21  1  0.996  0.156  0.122  1.0
  S  S22  1  0.004  0.344  0.622  1.0
  S  S23  1  0.496  0.844  0.878  1.0
  O  O24  1  0.250  0.257  0.401  1.0
  O  O25  1  0.250  0.757  0.099  1.0
  O  O26  1  0.750  0.743  0.599  1.0
  O  O27  1  0.750  0.243  0.901  1.0
[/CIF]
.