The structure described by BiScO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. Sc(1) is bonded to six equivalent O(1) atoms to form distorted ScO6 octahedra that share corners with nine equivalent Bi(1)O6 pentagonal pyramids, edges with three equivalent Sc(1)O6 octahedra, and  a faceface with one Bi(1)O6 pentagonal pyramid. Bi(1) is bonded to six equivalent O(1) atoms to form distorted BiO6 pentagonal pyramids that share corners with nine equivalent Sc(1)O6 octahedra, edges with three equivalent Bi(1)O6 pentagonal pyramids, and  a faceface with one Sc(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-66°. O(1) is bonded in a distorted see-saw-like geometry to two equivalent Sc(1) and two equivalent Bi(1) atoms. is represented by the CIF file [CIF]
data_ScBiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.015
_cell_length_b   6.015
_cell_length_c   6.015
_cell_angle_alpha   56.626
_cell_angle_beta   56.626
_cell_angle_gamma   56.626
_symmetry_Int_Tables_number   1
_cell_volume   141.880
_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  0.851  0.851  0.851  1.0
  Sc  Sc1  1  0.149  0.149  0.149  1.0
  Bi  Bi2  1  0.637  0.637  0.637  1.0
  Bi  Bi3  1  0.363  0.363  0.363  1.0
  O  O4  1  0.553  0.977  0.206  1.0
  O  O5  1  0.794  0.447  0.023  1.0
  O  O6  1  0.023  0.794  0.447  1.0
  O  O7  1  0.977  0.206  0.553  1.0
  O  O8  1  0.206  0.553  0.977  1.0
  O  O9  1  0.447  0.023  0.794  1.0
[/CIF]
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The structure described by BiScO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. Sc(1) is bonded to six equivalent O(1) atoms to form distorted ScO6 octahedra that share corners with nine equivalent Bi(1)O6 pentagonal pyramids, edges with three equivalent Sc(1)O6 octahedra, and  a faceface with one Bi(1)O6 pentagonal pyramid. Bi(1) is bonded to six equivalent O(1) atoms to form distorted BiO6 pentagonal pyramids that share corners with nine equivalent Sc(1)O6 octahedra, edges with three equivalent Bi(1)O6 pentagonal pyramids, and  a faceface with one Sc(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-66°. O(1) is bonded in a distorted see-saw-like geometry to two equivalent Sc(1) and two equivalent Bi(1) atoms. is represented by the CIF file [CIF]
data_ScBiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.015
_cell_length_b   6.015
_cell_length_c   6.015
_cell_angle_alpha   56.626
_cell_angle_beta   56.626
_cell_angle_gamma   56.626
_symmetry_Int_Tables_number   1
_cell_volume   141.880
_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  0.851  0.851  0.851  1.0
  Sc  Sc1  1  0.149  0.149  0.149  1.0
  Bi  Bi2  1  0.637  0.637  0.637  1.0
  Bi  Bi3  1  0.363  0.363  0.363  1.0
  O  O4  1  0.553  0.977  0.206  1.0
  O  O5  1  0.794  0.447  0.023  1.0
  O  O6  1  0.023  0.794  0.447  1.0
  O  O7  1  0.977  0.206  0.553  1.0
  O  O8  1  0.206  0.553  0.977  1.0
  O  O9  1  0.447  0.023  0.794  1.0
[/CIF]
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