The structure described by RbFe(SeO4)2 crystallizes in the trigonal P321 space group. Rb(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form distorted RbO12 cuboctahedra that share edges with six equivalent Rb(1)O12 cuboctahedra, edges with six equivalent Se(1)O4 tetrahedra, and faces with two equivalent Fe(1)O6 octahedra. Fe(1) is bonded to six equivalent O(2) atoms to form distorted FeO6 octahedra that share corners with six equivalent Se(1)O4 tetrahedra and faces with two equivalent Rb(1)O12 cuboctahedra. Se(1) is bonded to one O(1) and three equivalent O(2) atoms to form SeO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra and edges with three equivalent Rb(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 34°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Rb(1) and one Se(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Rb(1), one Fe(1), and one Se(1) atom. is represented by the CIF file [CIF]
data_RbFe(SeO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.262
_cell_length_b   5.262
_cell_length_c   8.888
_cell_angle_alpha   89.999
_cell_angle_beta   89.999
_cell_angle_gamma   60.002
_symmetry_Int_Tables_number   1
_cell_volume   213.092
_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
  Fe  Fe0  1  1.000  0.000  0.500  1.0
  O  O1  1  0.667  0.667  0.892  1.0
  O  O2  1  0.333  0.333  0.108  1.0
  O  O3  1  0.671  0.244  0.354  1.0
  O  O4  1  0.244  0.085  0.354  1.0
  O  O5  1  0.085  0.671  0.354  1.0
  O  O6  1  0.756  0.329  0.646  1.0
  O  O7  1  0.329  0.915  0.646  1.0
  O  O8  1  0.915  0.756  0.646  1.0
  Rb  Rb9  1  1.000  0.000  0.000  1.0
  Se  Se10  1  0.333  0.333  0.293  1.0
  Se  Se11  1  0.667  0.667  0.707  1.0
[/CIF]
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The structure described by RbFe(SeO4)2 crystallizes in the trigonal P321 space group. Rb(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form distorted RbO12 cuboctahedra that share edges with six equivalent Rb(1)O12 cuboctahedra, edges with six equivalent Se(1)O4 tetrahedra, and faces with two equivalent Fe(1)O6 octahedra. Fe(1) is bonded to six equivalent O(2) atoms to form distorted FeO6 octahedra that share corners with six equivalent Se(1)O4 tetrahedra and faces with two equivalent Rb(1)O12 cuboctahedra. Se(1) is bonded to one O(1) and three equivalent O(2) atoms to form SeO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra and edges with three equivalent Rb(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 34°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Rb(1) and one Se(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Rb(1), one Fe(1), and one Se(1) atom. is represented by the CIF file [CIF]
data_RbFe(SeO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.262
_cell_length_b   5.262
_cell_length_c   8.888
_cell_angle_alpha   89.999
_cell_angle_beta   89.999
_cell_angle_gamma   60.002
_symmetry_Int_Tables_number   1
_cell_volume   213.092
_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
  Fe  Fe0  1  1.000  0.000  0.500  1.0
  O  O1  1  0.667  0.667  0.892  1.0
  O  O2  1  0.333  0.333  0.108  1.0
  O  O3  1  0.671  0.244  0.354  1.0
  O  O4  1  0.244  0.085  0.354  1.0
  O  O5  1  0.085  0.671  0.354  1.0
  O  O6  1  0.756  0.329  0.646  1.0
  O  O7  1  0.329  0.915  0.646  1.0
  O  O8  1  0.915  0.756  0.646  1.0
  Rb  Rb9  1  1.000  0.000  0.000  1.0
  Se  Se10  1  0.333  0.333  0.293  1.0
  Se  Se11  1  0.667  0.667  0.707  1.0
[/CIF]
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