The structure described by Rb2MoS4 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 two equivalent S(3), three equivalent S(2), and four equivalent S(1) atoms. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to two equivalent S(2), two equivalent S(3), and four equivalent S(1) atoms. Mo(1) is bonded in a tetrahedral geometry to one S(2), one S(3), and two equivalent S(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), and one Mo(1) atom. In the second S site, S(2) is bonded in a 6-coordinate geometry to two equivalent Rb(2), three equivalent Rb(1), and one Mo(1) atom. In the third S site, S(3) is bonded to two equivalent Rb(1), two equivalent Rb(2), and one Mo(1) atom to form distorted corner-sharing SRb4Mo square pyramids. is represented by the CIF card [CIF]
data_Rb2MoS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.061
_cell_length_b   9.764
_cell_length_c   12.532
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   864.074
_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  0.750  0.462  0.332  1.0
  Rb  Rb1  1  0.250  0.346  0.105  1.0
  Rb  Rb2  1  0.750  0.654  0.895  1.0
  Rb  Rb3  1  0.250  0.846  0.395  1.0
  Rb  Rb4  1  0.250  0.038  0.832  1.0
  Rb  Rb5  1  0.750  0.962  0.168  1.0
  Rb  Rb6  1  0.750  0.154  0.605  1.0
  Rb  Rb7  1  0.250  0.538  0.668  1.0
  Mo  Mo8  1  0.750  0.746  0.573  1.0
  Mo  Mo9  1  0.250  0.254  0.427  1.0
  Mo  Mo10  1  0.750  0.246  0.927  1.0
  Mo  Mo11  1  0.250  0.754  0.073  1.0
  S  S12  1  0.500  0.161  0.356  1.0
  S  S13  1  1.000  0.161  0.356  1.0
  S  S14  1  0.500  0.839  0.644  1.0
  S  S15  1  0.500  0.661  0.144  1.0
  S  S16  1  0.250  0.975  0.105  1.0
  S  S17  1  0.750  0.025  0.895  1.0
  S  S18  1  0.250  0.475  0.395  1.0
  S  S19  1  0.750  0.525  0.605  1.0
  S  S20  1  0.250  0.713  0.902  1.0
  S  S21  1  0.750  0.287  0.098  1.0
  S  S22  1  0.250  0.213  0.598  1.0
  S  S23  1  0.000  0.839  0.644  1.0
  S  S24  1  1.000  0.661  0.144  1.0
  S  S25  1  0.500  0.339  0.856  1.0
  S  S26  1  0.750  0.787  0.402  1.0
  S  S27  1  0.000  0.339  0.856  1.0
[/CIF]
.
The structure described by Rb2MoS4 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 two equivalent S(3), three equivalent S(2), and four equivalent S(1) atoms. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to two equivalent S(2), two equivalent S(3), and four equivalent S(1) atoms. Mo(1) is bonded in a tetrahedral geometry to one S(2), one S(3), and two equivalent S(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), and one Mo(1) atom. In the second S site, S(2) is bonded in a 6-coordinate geometry to two equivalent Rb(2), three equivalent Rb(1), and one Mo(1) atom. In the third S site, S(3) is bonded to two equivalent Rb(1), two equivalent Rb(2), and one Mo(1) atom to form distorted corner-sharing SRb4Mo square pyramids. is represented by the CIF card [CIF]
data_Rb2MoS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.061
_cell_length_b   9.764
_cell_length_c   12.532
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   864.074
_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  0.750  0.462  0.332  1.0
  Rb  Rb1  1  0.250  0.346  0.105  1.0
  Rb  Rb2  1  0.750  0.654  0.895  1.0
  Rb  Rb3  1  0.250  0.846  0.395  1.0
  Rb  Rb4  1  0.250  0.038  0.832  1.0
  Rb  Rb5  1  0.750  0.962  0.168  1.0
  Rb  Rb6  1  0.750  0.154  0.605  1.0
  Rb  Rb7  1  0.250  0.538  0.668  1.0
  Mo  Mo8  1  0.750  0.746  0.573  1.0
  Mo  Mo9  1  0.250  0.254  0.427  1.0
  Mo  Mo10  1  0.750  0.246  0.927  1.0
  Mo  Mo11  1  0.250  0.754  0.073  1.0
  S  S12  1  0.500  0.161  0.356  1.0
  S  S13  1  1.000  0.161  0.356  1.0
  S  S14  1  0.500  0.839  0.644  1.0
  S  S15  1  0.500  0.661  0.144  1.0
  S  S16  1  0.250  0.975  0.105  1.0
  S  S17  1  0.750  0.025  0.895  1.0
  S  S18  1  0.250  0.475  0.395  1.0
  S  S19  1  0.750  0.525  0.605  1.0
  S  S20  1  0.250  0.713  0.902  1.0
  S  S21  1  0.750  0.287  0.098  1.0
  S  S22  1  0.250  0.213  0.598  1.0
  S  S23  1  0.000  0.839  0.644  1.0
  S  S24  1  1.000  0.661  0.144  1.0
  S  S25  1  0.500  0.339  0.856  1.0
  S  S26  1  0.750  0.787  0.402  1.0
  S  S27  1  0.000  0.339  0.856  1.0
[/CIF]
.