The material described by Rb2WSO4 crystallizes in the trigonal R-3m space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 10-coordinate geometry to four equivalent S(1), three equivalent O(1), and three equivalent O(2) atoms. In the second Rb site, Rb(2) is bonded in a 10-coordinate geometry to one O(2) and nine equivalent O(1) atoms. W(1) is bonded in a distorted tetrahedral geometry to one S(1) and three equivalent O(1) atoms. S(1) is bonded in a 5-coordinate geometry to four equivalent Rb(1) and one W(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Rb(1), three equivalent Rb(2), and one W(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Rb(2) and three equivalent Rb(1) atoms. is represented by the CIF card [CIF]
data_Rb2WSO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.361
_cell_length_b   12.361
_cell_length_c   12.361
_cell_angle_alpha   29.294
_cell_angle_beta   29.294
_cell_angle_gamma   29.294
_symmetry_Int_Tables_number   1
_cell_volume   400.081
_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
  Rb  Rb0  1  0.773  0.773  0.773  1.0
  Rb  Rb1  1  0.227  0.227  0.227  1.0
  Rb  Rb2  1  0.647  0.647  0.647  1.0
  Rb  Rb3  1  0.353  0.353  0.353  1.0
  W  W4  1  0.939  0.939  0.939  1.0
  W  W5  1  0.061  0.061  0.061  1.0
  S  S6  1  0.874  0.874  0.874  1.0
  S  S7  1  0.126  0.126  0.126  1.0
  O  O8  1  0.113  0.642  0.113  1.0
  O  O9  1  0.113  0.113  0.642  1.0
  O  O10  1  0.642  0.113  0.113  1.0
  O  O11  1  0.887  0.358  0.887  1.0
  O  O12  1  0.887  0.887  0.358  1.0
  O  O13  1  0.358  0.887  0.887  1.0
  O  O14  1  0.560  0.560  0.560  1.0
  O  O15  1  0.440  0.440  0.440  1.0
[/CIF]
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The material described by Rb2WSO4 crystallizes in the trigonal R-3m space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 10-coordinate geometry to four equivalent S(1), three equivalent O(1), and three equivalent O(2) atoms. In the second Rb site, Rb(2) is bonded in a 10-coordinate geometry to one O(2) and nine equivalent O(1) atoms. W(1) is bonded in a distorted tetrahedral geometry to one S(1) and three equivalent O(1) atoms. S(1) is bonded in a 5-coordinate geometry to four equivalent Rb(1) and one W(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Rb(1), three equivalent Rb(2), and one W(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Rb(2) and three equivalent Rb(1) atoms. is represented by the CIF card [CIF]
data_Rb2WSO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.361
_cell_length_b   12.361
_cell_length_c   12.361
_cell_angle_alpha   29.294
_cell_angle_beta   29.294
_cell_angle_gamma   29.294
_symmetry_Int_Tables_number   1
_cell_volume   400.081
_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
  Rb  Rb0  1  0.773  0.773  0.773  1.0
  Rb  Rb1  1  0.227  0.227  0.227  1.0
  Rb  Rb2  1  0.647  0.647  0.647  1.0
  Rb  Rb3  1  0.353  0.353  0.353  1.0
  W  W4  1  0.939  0.939  0.939  1.0
  W  W5  1  0.061  0.061  0.061  1.0
  S  S6  1  0.874  0.874  0.874  1.0
  S  S7  1  0.126  0.126  0.126  1.0
  O  O8  1  0.113  0.642  0.113  1.0
  O  O9  1  0.113  0.113  0.642  1.0
  O  O10  1  0.642  0.113  0.113  1.0
  O  O11  1  0.887  0.358  0.887  1.0
  O  O12  1  0.887  0.887  0.358  1.0
  O  O13  1  0.358  0.887  0.887  1.0
  O  O14  1  0.560  0.560  0.560  1.0
  O  O15  1  0.440  0.440  0.440  1.0
[/CIF]
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