The material described by RbSO3 crystallizes in the trigonal P321 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 10-coordinate geometry to two equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. In the second Rb site, Rb(2) is bonded to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms to form corner-sharing RbO8 hexagonal bipyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to three equivalent O(3) atoms. In the second S site, S(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent O(2) atoms. In the third S site, S(3) is bonded in a trigonal non-coplanar geometry to three equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Rb(1), two equivalent Rb(2), and one S(3) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Rb(2), two equivalent Rb(1), and one S(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Rb(2), two equivalent Rb(1), and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbSO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.123
_cell_length_b   10.123
_cell_length_c   6.454
_cell_angle_alpha   89.999
_cell_angle_beta   90.002
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   572.752
_cell_formula_units_Z   6
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  0.293  0.000  0.500  1.0
  Rb  Rb1  1  1.000  0.293  0.500  1.0
  Rb  Rb2  1  0.707  0.707  0.500  1.0
  Rb  Rb3  1  0.618  1.000  0.000  1.0
  Rb  Rb4  1  0.000  0.618  0.000  1.0
  Rb  Rb5  1  0.382  0.382  0.000  1.0
  S  S6  1  1.000  1.000  0.171  1.0
  S  S7  1  1.000  1.000  0.829  1.0
  S  S8  1  0.333  0.667  0.588  1.0
  S  S9  1  0.667  0.333  0.412  1.0
  S  S10  1  0.333  0.667  0.253  1.0
  S  S11  1  0.667  0.333  0.747  1.0
  O  O12  1  0.207  0.518  0.195  1.0
  O  O13  1  0.482  0.689  0.195  1.0
  O  O14  1  0.310  0.793  0.195  1.0
  O  O15  1  0.689  0.482  0.805  1.0
  O  O16  1  0.793  0.311  0.805  1.0
  O  O17  1  0.518  0.207  0.805  1.0
  O  O18  1  0.179  0.630  0.642  1.0
  O  O19  1  0.370  0.549  0.642  1.0
  O  O20  1  0.451  0.821  0.642  1.0
  O  O21  1  0.549  0.370  0.358  1.0
  O  O22  1  0.821  0.451  0.358  1.0
  O  O23  1  0.630  0.179  0.358  1.0
  O  O24  1  0.147  0.129  0.230  1.0
  O  O25  1  0.871  0.018  0.230  1.0
  O  O26  1  0.982  0.853  0.230  1.0
  O  O27  1  0.018  0.871  0.770  1.0
  O  O28  1  0.853  0.982  0.770  1.0
  O  O29  1  0.129  0.147  0.770  1.0
[/CIF]
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The material described by RbSO3 crystallizes in the trigonal P321 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 10-coordinate geometry to two equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. In the second Rb site, Rb(2) is bonded to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms to form corner-sharing RbO8 hexagonal bipyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to three equivalent O(3) atoms. In the second S site, S(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent O(2) atoms. In the third S site, S(3) is bonded in a trigonal non-coplanar geometry to three equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Rb(1), two equivalent Rb(2), and one S(3) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Rb(2), two equivalent Rb(1), and one S(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Rb(2), two equivalent Rb(1), and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbSO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.123
_cell_length_b   10.123
_cell_length_c   6.454
_cell_angle_alpha   89.999
_cell_angle_beta   90.002
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   572.752
_cell_formula_units_Z   6
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  0.293  0.000  0.500  1.0
  Rb  Rb1  1  1.000  0.293  0.500  1.0
  Rb  Rb2  1  0.707  0.707  0.500  1.0
  Rb  Rb3  1  0.618  1.000  0.000  1.0
  Rb  Rb4  1  0.000  0.618  0.000  1.0
  Rb  Rb5  1  0.382  0.382  0.000  1.0
  S  S6  1  1.000  1.000  0.171  1.0
  S  S7  1  1.000  1.000  0.829  1.0
  S  S8  1  0.333  0.667  0.588  1.0
  S  S9  1  0.667  0.333  0.412  1.0
  S  S10  1  0.333  0.667  0.253  1.0
  S  S11  1  0.667  0.333  0.747  1.0
  O  O12  1  0.207  0.518  0.195  1.0
  O  O13  1  0.482  0.689  0.195  1.0
  O  O14  1  0.310  0.793  0.195  1.0
  O  O15  1  0.689  0.482  0.805  1.0
  O  O16  1  0.793  0.311  0.805  1.0
  O  O17  1  0.518  0.207  0.805  1.0
  O  O18  1  0.179  0.630  0.642  1.0
  O  O19  1  0.370  0.549  0.642  1.0
  O  O20  1  0.451  0.821  0.642  1.0
  O  O21  1  0.549  0.370  0.358  1.0
  O  O22  1  0.821  0.451  0.358  1.0
  O  O23  1  0.630  0.179  0.358  1.0
  O  O24  1  0.147  0.129  0.230  1.0
  O  O25  1  0.871  0.018  0.230  1.0
  O  O26  1  0.982  0.853  0.230  1.0
  O  O27  1  0.018  0.871  0.770  1.0
  O  O28  1  0.853  0.982  0.770  1.0
  O  O29  1  0.129  0.147  0.770  1.0
[/CIF]
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