The material described by Rb3(SeO4)2 crystallizes in the monoclinic C2 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), two equivalent O(2), two equivalent O(3), and four equivalent O(4) atoms. In the second Rb site, Rb(2) is bonded in a 10-coordinate geometry to one O(4), three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Se(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Rb(1), three equivalent Rb(2), and one Se(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Rb(1), three equivalent Rb(2), and one Se(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Rb(1), three equivalent Rb(2), and one Se(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Rb(2), two equivalent Rb(1), and one Se(1) atom. is represented by the CIF file [CIF]
data_Rb3(SeO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.158
_cell_length_b   6.158
_cell_length_c   8.528
_cell_angle_alpha   67.492
_cell_angle_beta   67.492
_cell_angle_gamma   60.117
_symmetry_Int_Tables_number   1
_cell_volume   251.519
_cell_formula_units_Z   1
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  0.003  0.997  0.000  1.0
  Rb  Rb1  1  0.203  0.208  0.386  1.0
  Rb  Rb2  1  0.792  0.797  0.614  1.0
  Se  Se3  1  0.396  0.415  0.772  1.0
  Se  Se4  1  0.585  0.604  0.228  1.0
  O  O5  1  0.263  0.716  0.305  1.0
  O  O6  1  0.718  0.282  0.279  1.0
  O  O7  1  0.711  0.718  0.305  1.0
  O  O8  1  0.718  0.282  0.721  1.0
  O  O9  1  0.284  0.737  0.695  1.0
  O  O10  1  0.282  0.289  0.695  1.0
  O  O11  1  0.284  0.363  0.991  1.0
  O  O12  1  0.637  0.716  0.009  1.0
[/CIF]
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The material described by Rb3(SeO4)2 crystallizes in the monoclinic C2 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), two equivalent O(2), two equivalent O(3), and four equivalent O(4) atoms. In the second Rb site, Rb(2) is bonded in a 10-coordinate geometry to one O(4), three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Se(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Rb(1), three equivalent Rb(2), and one Se(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Rb(1), three equivalent Rb(2), and one Se(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Rb(1), three equivalent Rb(2), and one Se(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Rb(2), two equivalent Rb(1), and one Se(1) atom. is represented by the CIF file [CIF]
data_Rb3(SeO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.158
_cell_length_b   6.158
_cell_length_c   8.528
_cell_angle_alpha   67.492
_cell_angle_beta   67.492
_cell_angle_gamma   60.117
_symmetry_Int_Tables_number   1
_cell_volume   251.519
_cell_formula_units_Z   1
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  0.003  0.997  0.000  1.0
  Rb  Rb1  1  0.203  0.208  0.386  1.0
  Rb  Rb2  1  0.792  0.797  0.614  1.0
  Se  Se3  1  0.396  0.415  0.772  1.0
  Se  Se4  1  0.585  0.604  0.228  1.0
  O  O5  1  0.263  0.716  0.305  1.0
  O  O6  1  0.718  0.282  0.279  1.0
  O  O7  1  0.711  0.718  0.305  1.0
  O  O8  1  0.718  0.282  0.721  1.0
  O  O9  1  0.284  0.737  0.695  1.0
  O  O10  1  0.282  0.289  0.695  1.0
  O  O11  1  0.284  0.363  0.991  1.0
  O  O12  1  0.637  0.716  0.009  1.0
[/CIF]
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