The material structure described by Rb2SeO4 crystallizes in the monoclinic Cc space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form RbO6 octahedra that share corners with six equivalent Se(1)O4 tetrahedra and edges with two equivalent Rb(1)O6 octahedra. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Se(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SeO4 tetrahedra that share corners with six equivalent Rb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-55°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), and one Se(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), and one Se(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Rb(1), two equivalent Rb(2), and one Se(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Rb(1), two equivalent Rb(2), and one Se(1) atom. is represented by the CIF card [CIF]
data_Rb2SeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.408
_cell_length_b   6.408
_cell_length_c   8.280
_cell_angle_alpha   89.861
_cell_angle_beta   89.861
_cell_angle_gamma   117.738
_symmetry_Int_Tables_number   1
_cell_volume   300.929
_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  0.986  0.987  0.494  1.0
  Rb  Rb1  1  0.987  0.986  0.994  1.0
  Rb  Rb2  1  0.290  0.639  0.248  1.0
  Rb  Rb3  1  0.639  0.290  0.748  1.0
  Se  Se4  1  0.346  0.669  0.744  1.0
  Se  Se5  1  0.669  0.346  0.244  1.0
  O  O6  1  0.191  0.373  0.731  1.0
  O  O7  1  0.635  0.740  0.753  1.0
  O  O8  1  0.273  0.768  0.910  1.0
  O  O9  1  0.303  0.801  0.582  1.0
  O  O10  1  0.801  0.303  0.082  1.0
  O  O11  1  0.768  0.273  0.410  1.0
  O  O12  1  0.373  0.191  0.231  1.0
  O  O13  1  0.740  0.635  0.253  1.0
[/CIF]
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The material structure described by Rb2SeO4 crystallizes in the monoclinic Cc space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form RbO6 octahedra that share corners with six equivalent Se(1)O4 tetrahedra and edges with two equivalent Rb(1)O6 octahedra. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Se(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SeO4 tetrahedra that share corners with six equivalent Rb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-55°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), and one Se(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), and one Se(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Rb(1), two equivalent Rb(2), and one Se(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Rb(1), two equivalent Rb(2), and one Se(1) atom. is represented by the CIF card [CIF]
data_Rb2SeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.408
_cell_length_b   6.408
_cell_length_c   8.280
_cell_angle_alpha   89.861
_cell_angle_beta   89.861
_cell_angle_gamma   117.738
_symmetry_Int_Tables_number   1
_cell_volume   300.929
_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  0.986  0.987  0.494  1.0
  Rb  Rb1  1  0.987  0.986  0.994  1.0
  Rb  Rb2  1  0.290  0.639  0.248  1.0
  Rb  Rb3  1  0.639  0.290  0.748  1.0
  Se  Se4  1  0.346  0.669  0.744  1.0
  Se  Se5  1  0.669  0.346  0.244  1.0
  O  O6  1  0.191  0.373  0.731  1.0
  O  O7  1  0.635  0.740  0.753  1.0
  O  O8  1  0.273  0.768  0.910  1.0
  O  O9  1  0.303  0.801  0.582  1.0
  O  O10  1  0.801  0.303  0.082  1.0
  O  O11  1  0.768  0.273  0.410  1.0
  O  O12  1  0.373  0.191  0.231  1.0
  O  O13  1  0.740  0.635  0.253  1.0
[/CIF]
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