The structure described by Sc2(SeO3)3 crystallizes in the hexagonal P6_3/m space group. Sc(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted face-sharing ScO6 octahedra. Se(1) is bonded in a trigonal non-coplanar geometry to one O(2) and two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Sc(1) and one Se(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Sc(1) and one Se(1) atom. is represented by the CIF card [CIF]
data_Sc2(SeO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.149
_cell_length_b   8.149
_cell_length_c   7.676
_cell_angle_alpha   90.007
_cell_angle_beta   89.998
_cell_angle_gamma   119.997
_symmetry_Int_Tables_number   1
_cell_volume   441.504
_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
  Sc  Sc0  1  0.333  0.667  0.045  1.0
  Sc  Sc1  1  0.667  0.333  0.545  1.0
  Sc  Sc2  1  0.667  0.333  0.955  1.0
  Sc  Sc3  1  0.333  0.667  0.455  1.0
  Se  Se4  1  0.267  0.299  0.750  1.0
  Se  Se5  1  0.299  0.032  0.250  1.0
  Se  Se6  1  0.032  0.733  0.750  1.0
  Se  Se7  1  0.968  0.267  0.250  1.0
  Se  Se8  1  0.733  0.701  0.250  1.0
  Se  Se9  1  0.701  0.968  0.750  1.0
  O  O10  1  0.416  0.170  0.422  1.0
  O  O11  1  0.246  0.416  0.922  1.0
  O  O12  1  0.170  0.754  0.922  1.0
  O  O13  1  0.830  0.246  0.422  1.0
  O  O14  1  0.754  0.584  0.422  1.0
  O  O15  1  0.584  0.830  0.922  1.0
  O  O16  1  0.584  0.830  0.578  1.0
  O  O17  1  0.754  0.584  0.078  1.0
  O  O18  1  0.830  0.246  0.078  1.0
  O  O19  1  0.170  0.754  0.578  1.0
  O  O20  1  0.126  0.508  0.250  1.0
  O  O21  1  0.618  0.126  0.750  1.0
  O  O22  1  0.508  0.382  0.750  1.0
  O  O23  1  0.492  0.618  0.250  1.0
  O  O24  1  0.382  0.874  0.250  1.0
  O  O25  1  0.874  0.492  0.750  1.0
  O  O26  1  0.416  0.170  0.078  1.0
  O  O27  1  0.246  0.416  0.578  1.0
[/CIF]
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The structure described by Sc2(SeO3)3 crystallizes in the hexagonal P6_3/m space group. Sc(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted face-sharing ScO6 octahedra. Se(1) is bonded in a trigonal non-coplanar geometry to one O(2) and two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Sc(1) and one Se(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Sc(1) and one Se(1) atom. is represented by the CIF card [CIF]
data_Sc2(SeO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.149
_cell_length_b   8.149
_cell_length_c   7.676
_cell_angle_alpha   90.007
_cell_angle_beta   89.998
_cell_angle_gamma   119.997
_symmetry_Int_Tables_number   1
_cell_volume   441.504
_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
  Sc  Sc0  1  0.333  0.667  0.045  1.0
  Sc  Sc1  1  0.667  0.333  0.545  1.0
  Sc  Sc2  1  0.667  0.333  0.955  1.0
  Sc  Sc3  1  0.333  0.667  0.455  1.0
  Se  Se4  1  0.267  0.299  0.750  1.0
  Se  Se5  1  0.299  0.032  0.250  1.0
  Se  Se6  1  0.032  0.733  0.750  1.0
  Se  Se7  1  0.968  0.267  0.250  1.0
  Se  Se8  1  0.733  0.701  0.250  1.0
  Se  Se9  1  0.701  0.968  0.750  1.0
  O  O10  1  0.416  0.170  0.422  1.0
  O  O11  1  0.246  0.416  0.922  1.0
  O  O12  1  0.170  0.754  0.922  1.0
  O  O13  1  0.830  0.246  0.422  1.0
  O  O14  1  0.754  0.584  0.422  1.0
  O  O15  1  0.584  0.830  0.922  1.0
  O  O16  1  0.584  0.830  0.578  1.0
  O  O17  1  0.754  0.584  0.078  1.0
  O  O18  1  0.830  0.246  0.078  1.0
  O  O19  1  0.170  0.754  0.578  1.0
  O  O20  1  0.126  0.508  0.250  1.0
  O  O21  1  0.618  0.126  0.750  1.0
  O  O22  1  0.508  0.382  0.750  1.0
  O  O23  1  0.492  0.618  0.250  1.0
  O  O24  1  0.382  0.874  0.250  1.0
  O  O25  1  0.874  0.492  0.750  1.0
  O  O26  1  0.416  0.170  0.078  1.0
  O  O27  1  0.246  0.416  0.578  1.0
[/CIF]
.