The material described by Rb2WS4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(3), and four equivalent S(2) atoms. In the second Rb site, Rb(2) is bonded in a 9-coordinate geometry to two equivalent S(3), three equivalent S(1), and four equivalent S(2) atoms. W(1) is bonded in a tetrahedral geometry to one S(1), one S(3), and two equivalent S(2) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to two equivalent Rb(1), three equivalent Rb(2), and one W(1) atom. In the second S site, S(2) is bonded to two equivalent Rb(1), two equivalent Rb(2), and one W(1) atom to form a mixture of distorted corner, edge, and face-sharing SRb4W trigonal bipyramids. In the third S site, S(3) is bonded to two equivalent Rb(1), two equivalent Rb(2), and one W(1) atom to form a mixture of distorted corner and edge-sharing SRb4W square pyramids. is represented by the CIF card [CIF]
data_Rb2WS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.091
_cell_length_b   9.776
_cell_length_c   12.589
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   872.650
_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  0.656  0.393  1.0
  Rb  Rb1  1  0.750  0.344  0.607  1.0
  Rb  Rb2  1  0.250  0.156  0.107  1.0
  Rb  Rb3  1  0.750  0.844  0.893  1.0
  Rb  Rb4  1  0.250  0.460  0.831  1.0
  Rb  Rb5  1  0.750  0.540  0.169  1.0
  Rb  Rb6  1  0.250  0.960  0.669  1.0
  Rb  Rb7  1  0.750  0.040  0.331  1.0
  W  W8  1  0.250  0.246  0.428  1.0
  W  W9  1  0.750  0.754  0.572  1.0
  W  W10  1  0.250  0.746  0.072  1.0
  W  W11  1  0.750  0.254  0.928  1.0
  S  S12  1  0.250  0.025  0.395  1.0
  S  S13  1  0.750  0.975  0.605  1.0
  S  S14  1  0.250  0.525  0.105  1.0
  S  S15  1  0.750  0.475  0.895  1.0
  S  S16  1  0.500  0.659  0.642  1.0
  S  S17  1  1.000  0.341  0.358  1.0
  S  S18  1  0.000  0.159  0.858  1.0
  S  S19  1  0.500  0.841  0.142  1.0
  S  S20  1  0.500  0.341  0.358  1.0
  S  S21  1  0.000  0.659  0.642  1.0
  S  S22  1  1.000  0.841  0.142  1.0
  S  S23  1  0.500  0.159  0.858  1.0
  S  S24  1  0.750  0.216  0.100  1.0
  S  S25  1  0.250  0.784  0.900  1.0
  S  S26  1  0.750  0.716  0.400  1.0
  S  S27  1  0.250  0.284  0.600  1.0
[/CIF]
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The material described by Rb2WS4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(3), and four equivalent S(2) atoms. In the second Rb site, Rb(2) is bonded in a 9-coordinate geometry to two equivalent S(3), three equivalent S(1), and four equivalent S(2) atoms. W(1) is bonded in a tetrahedral geometry to one S(1), one S(3), and two equivalent S(2) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to two equivalent Rb(1), three equivalent Rb(2), and one W(1) atom. In the second S site, S(2) is bonded to two equivalent Rb(1), two equivalent Rb(2), and one W(1) atom to form a mixture of distorted corner, edge, and face-sharing SRb4W trigonal bipyramids. In the third S site, S(3) is bonded to two equivalent Rb(1), two equivalent Rb(2), and one W(1) atom to form a mixture of distorted corner and edge-sharing SRb4W square pyramids. is represented by the CIF card [CIF]
data_Rb2WS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.091
_cell_length_b   9.776
_cell_length_c   12.589
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   872.650
_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  0.656  0.393  1.0
  Rb  Rb1  1  0.750  0.344  0.607  1.0
  Rb  Rb2  1  0.250  0.156  0.107  1.0
  Rb  Rb3  1  0.750  0.844  0.893  1.0
  Rb  Rb4  1  0.250  0.460  0.831  1.0
  Rb  Rb5  1  0.750  0.540  0.169  1.0
  Rb  Rb6  1  0.250  0.960  0.669  1.0
  Rb  Rb7  1  0.750  0.040  0.331  1.0
  W  W8  1  0.250  0.246  0.428  1.0
  W  W9  1  0.750  0.754  0.572  1.0
  W  W10  1  0.250  0.746  0.072  1.0
  W  W11  1  0.750  0.254  0.928  1.0
  S  S12  1  0.250  0.025  0.395  1.0
  S  S13  1  0.750  0.975  0.605  1.0
  S  S14  1  0.250  0.525  0.105  1.0
  S  S15  1  0.750  0.475  0.895  1.0
  S  S16  1  0.500  0.659  0.642  1.0
  S  S17  1  1.000  0.341  0.358  1.0
  S  S18  1  0.000  0.159  0.858  1.0
  S  S19  1  0.500  0.841  0.142  1.0
  S  S20  1  0.500  0.341  0.358  1.0
  S  S21  1  0.000  0.659  0.642  1.0
  S  S22  1  1.000  0.841  0.142  1.0
  S  S23  1  0.500  0.159  0.858  1.0
  S  S24  1  0.750  0.216  0.100  1.0
  S  S25  1  0.250  0.784  0.900  1.0
  S  S26  1  0.750  0.716  0.400  1.0
  S  S27  1  0.250  0.284  0.600  1.0
[/CIF]
.