The material structure described by CsY(SeO3)2 crystallizes in the cubic Pa-3 space group. Cs(1) is bonded to twelve equivalent O(1) atoms to form CsO12 cuboctahedra that share corners with twelve equivalent Cs(1)O12 cuboctahedra and edges with six equivalent Y(1)O6 octahedra. Y(1) is bonded to six equivalent O(1) atoms to form YO6 octahedra that share edges with six equivalent Cs(1)O12 cuboctahedra. Se(1) is bonded in a trigonal non-coplanar geometry to three equivalent O(1) atoms. O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1), one Y(1), and one Se(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsY(SeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.975
_cell_length_b   8.975
_cell_length_c   8.975
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   722.852
_cell_formula_units_Z   4
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  0.500  0.500  0.000  1.0
  Cs  Cs1  1  0.500  0.000  0.500  1.0
  Cs  Cs2  1  0.000  0.500  0.500  1.0
  Cs  Cs3  1  0.000  0.000  0.000  1.0
  Y  Y4  1  0.500  0.000  0.000  1.0
  Y  Y5  1  0.500  0.500  0.500  1.0
  Y  Y6  1  0.000  0.000  0.500  1.0
  Y  Y7  1  0.000  0.500  0.000  1.0
  Se  Se8  1  0.263  0.737  0.237  1.0
  Se  Se9  1  0.737  0.237  0.263  1.0
  Se  Se10  1  0.237  0.263  0.737  1.0
  Se  Se11  1  0.763  0.763  0.763  1.0
  Se  Se12  1  0.737  0.263  0.763  1.0
  Se  Se13  1  0.263  0.763  0.737  1.0
  Se  Se14  1  0.763  0.737  0.263  1.0
  Se  Se15  1  0.237  0.237  0.237  1.0
  O  O16  1  0.179  0.661  0.081  1.0
  O  O17  1  0.821  0.161  0.419  1.0
  O  O18  1  0.321  0.339  0.581  1.0
  O  O19  1  0.679  0.839  0.919  1.0
  O  O20  1  0.081  0.179  0.661  1.0
  O  O21  1  0.419  0.821  0.161  1.0
  O  O22  1  0.581  0.321  0.339  1.0
  O  O23  1  0.919  0.679  0.839  1.0
  O  O24  1  0.661  0.081  0.179  1.0
  O  O25  1  0.161  0.419  0.821  1.0
  O  O26  1  0.339  0.581  0.321  1.0
  O  O27  1  0.839  0.919  0.679  1.0
  O  O28  1  0.821  0.339  0.919  1.0
  O  O29  1  0.179  0.839  0.581  1.0
  O  O30  1  0.679  0.661  0.419  1.0
  O  O31  1  0.321  0.161  0.081  1.0
  O  O32  1  0.919  0.821  0.339  1.0
  O  O33  1  0.581  0.179  0.839  1.0
  O  O34  1  0.419  0.679  0.661  1.0
  O  O35  1  0.081  0.321  0.161  1.0
  O  O36  1  0.339  0.919  0.821  1.0
  O  O37  1  0.839  0.581  0.179  1.0
  O  O38  1  0.661  0.419  0.679  1.0
  O  O39  1  0.161  0.081  0.321  1.0
[/CIF]
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The material structure described by CsY(SeO3)2 crystallizes in the cubic Pa-3 space group. Cs(1) is bonded to twelve equivalent O(1) atoms to form CsO12 cuboctahedra that share corners with twelve equivalent Cs(1)O12 cuboctahedra and edges with six equivalent Y(1)O6 octahedra. Y(1) is bonded to six equivalent O(1) atoms to form YO6 octahedra that share edges with six equivalent Cs(1)O12 cuboctahedra. Se(1) is bonded in a trigonal non-coplanar geometry to three equivalent O(1) atoms. O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1), one Y(1), and one Se(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsY(SeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.975
_cell_length_b   8.975
_cell_length_c   8.975
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   722.852
_cell_formula_units_Z   4
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  0.500  0.500  0.000  1.0
  Cs  Cs1  1  0.500  0.000  0.500  1.0
  Cs  Cs2  1  0.000  0.500  0.500  1.0
  Cs  Cs3  1  0.000  0.000  0.000  1.0
  Y  Y4  1  0.500  0.000  0.000  1.0
  Y  Y5  1  0.500  0.500  0.500  1.0
  Y  Y6  1  0.000  0.000  0.500  1.0
  Y  Y7  1  0.000  0.500  0.000  1.0
  Se  Se8  1  0.263  0.737  0.237  1.0
  Se  Se9  1  0.737  0.237  0.263  1.0
  Se  Se10  1  0.237  0.263  0.737  1.0
  Se  Se11  1  0.763  0.763  0.763  1.0
  Se  Se12  1  0.737  0.263  0.763  1.0
  Se  Se13  1  0.263  0.763  0.737  1.0
  Se  Se14  1  0.763  0.737  0.263  1.0
  Se  Se15  1  0.237  0.237  0.237  1.0
  O  O16  1  0.179  0.661  0.081  1.0
  O  O17  1  0.821  0.161  0.419  1.0
  O  O18  1  0.321  0.339  0.581  1.0
  O  O19  1  0.679  0.839  0.919  1.0
  O  O20  1  0.081  0.179  0.661  1.0
  O  O21  1  0.419  0.821  0.161  1.0
  O  O22  1  0.581  0.321  0.339  1.0
  O  O23  1  0.919  0.679  0.839  1.0
  O  O24  1  0.661  0.081  0.179  1.0
  O  O25  1  0.161  0.419  0.821  1.0
  O  O26  1  0.339  0.581  0.321  1.0
  O  O27  1  0.839  0.919  0.679  1.0
  O  O28  1  0.821  0.339  0.919  1.0
  O  O29  1  0.179  0.839  0.581  1.0
  O  O30  1  0.679  0.661  0.419  1.0
  O  O31  1  0.321  0.161  0.081  1.0
  O  O32  1  0.919  0.821  0.339  1.0
  O  O33  1  0.581  0.179  0.839  1.0
  O  O34  1  0.419  0.679  0.661  1.0
  O  O35  1  0.081  0.321  0.161  1.0
  O  O36  1  0.339  0.919  0.821  1.0
  O  O37  1  0.839  0.581  0.179  1.0
  O  O38  1  0.661  0.419  0.679  1.0
  O  O39  1  0.161  0.081  0.321  1.0
[/CIF]
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