The material structure described by Cs2WSO4 crystallizes in the trigonal R-3m space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 10-coordinate geometry to one O(2) and nine equivalent O(1) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to four equivalent S(1), three equivalent O(1), and three equivalent O(2) atoms. W(1) is bonded in a distorted tetrahedral geometry to one S(1) and three equivalent O(1) atoms. S(1) is bonded to four equivalent Cs(2) and one W(1) atom to form distorted SCs4W trigonal bipyramids that share corners with six equivalent S(1)Cs4W trigonal bipyramids, corners with six equivalent O(2)Cs4 trigonal pyramids, edges with three equivalent S(1)Cs4W trigonal bipyramids, and edges with three equivalent O(2)Cs4 trigonal pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cs(2), three equivalent Cs(1), and one W(1) atom. In the second O site, O(2) is bonded to one Cs(1) and three equivalent Cs(2) atoms to form OCs4 trigonal pyramids that share corners with six equivalent S(1)Cs4W trigonal bipyramids, corners with six equivalent O(2)Cs4 trigonal pyramids, and edges with three equivalent S(1)Cs4W trigonal bipyramids. is represented by the CIF card [CIF]
data_Cs2WSO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.451
_cell_length_b   6.451
_cell_length_c   13.048
_cell_angle_alpha   75.688
_cell_angle_beta   75.688
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   450.654
_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
  Cs  Cs0  1  0.355  0.355  0.935  1.0
  Cs  Cs1  1  0.645  0.645  0.065  1.0
  Cs  Cs2  1  0.226  0.226  0.321  1.0
  Cs  Cs3  1  0.774  0.774  0.679  1.0
  W  W4  1  0.061  0.061  0.818  1.0
  W  W5  1  0.939  0.939  0.182  1.0
  S  S6  1  0.122  0.122  0.635  1.0
  S  S7  1  0.878  0.878  0.365  1.0
  O  O8  1  0.349  0.893  0.866  1.0
  O  O9  1  0.893  0.893  0.866  1.0
  O  O10  1  0.893  0.349  0.866  1.0
  O  O11  1  0.651  0.107  0.134  1.0
  O  O12  1  0.107  0.107  0.134  1.0
  O  O13  1  0.107  0.651  0.134  1.0
  O  O14  1  0.448  0.448  0.655  1.0
  O  O15  1  0.552  0.552  0.345  1.0
[/CIF]
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The material structure described by Cs2WSO4 crystallizes in the trigonal R-3m space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 10-coordinate geometry to one O(2) and nine equivalent O(1) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to four equivalent S(1), three equivalent O(1), and three equivalent O(2) atoms. W(1) is bonded in a distorted tetrahedral geometry to one S(1) and three equivalent O(1) atoms. S(1) is bonded to four equivalent Cs(2) and one W(1) atom to form distorted SCs4W trigonal bipyramids that share corners with six equivalent S(1)Cs4W trigonal bipyramids, corners with six equivalent O(2)Cs4 trigonal pyramids, edges with three equivalent S(1)Cs4W trigonal bipyramids, and edges with three equivalent O(2)Cs4 trigonal pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cs(2), three equivalent Cs(1), and one W(1) atom. In the second O site, O(2) is bonded to one Cs(1) and three equivalent Cs(2) atoms to form OCs4 trigonal pyramids that share corners with six equivalent S(1)Cs4W trigonal bipyramids, corners with six equivalent O(2)Cs4 trigonal pyramids, and edges with three equivalent S(1)Cs4W trigonal bipyramids. is represented by the CIF card [CIF]
data_Cs2WSO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.451
_cell_length_b   6.451
_cell_length_c   13.048
_cell_angle_alpha   75.688
_cell_angle_beta   75.688
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   450.654
_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
  Cs  Cs0  1  0.355  0.355  0.935  1.0
  Cs  Cs1  1  0.645  0.645  0.065  1.0
  Cs  Cs2  1  0.226  0.226  0.321  1.0
  Cs  Cs3  1  0.774  0.774  0.679  1.0
  W  W4  1  0.061  0.061  0.818  1.0
  W  W5  1  0.939  0.939  0.182  1.0
  S  S6  1  0.122  0.122  0.635  1.0
  S  S7  1  0.878  0.878  0.365  1.0
  O  O8  1  0.349  0.893  0.866  1.0
  O  O9  1  0.893  0.893  0.866  1.0
  O  O10  1  0.893  0.349  0.866  1.0
  O  O11  1  0.651  0.107  0.134  1.0
  O  O12  1  0.107  0.107  0.134  1.0
  O  O13  1  0.107  0.651  0.134  1.0
  O  O14  1  0.448  0.448  0.655  1.0
  O  O15  1  0.552  0.552  0.345  1.0
[/CIF]
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