The material described by LuBiO3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. Lu(1) is bonded to six equivalent O(1) atoms to form distorted LuO6 octahedra that share corners with six equivalent Lu(1)O6 octahedra, corners with three equivalent Bi(1)O6 pentagonal pyramids, edges with three equivalent Bi(1)O6 pentagonal pyramids, and  a faceface with one Bi(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 37°. Bi(1) is bonded to six equivalent O(1) atoms to form distorted BiO6 pentagonal pyramids that share corners with three equivalent Lu(1)O6 octahedra, corners with six equivalent Bi(1)O6 pentagonal pyramids, edges with three equivalent Lu(1)O6 octahedra, and  a faceface with one Lu(1)O6 octahedra. The corner-sharing octahedral tilt angles are 69°. O(1) is bonded in a distorted see-saw-like geometry to two equivalent Lu(1) and two equivalent Bi(1) atoms. is represented by the CIF file [CIF]
data_LuBiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.045
_cell_length_b   6.045
_cell_length_c   6.045
_cell_angle_alpha   58.674
_cell_angle_beta   58.674
_cell_angle_gamma   58.674
_symmetry_Int_Tables_number   1
_cell_volume   151.491
_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
  Lu  Lu0  1  0.778  0.778  0.778  1.0
  Lu  Lu1  1  0.278  0.278  0.278  1.0
  Bi  Bi2  1  0.993  0.993  0.993  1.0
  Bi  Bi3  1  0.493  0.493  0.493  1.0
  O  O4  1  0.930  0.138  0.583  1.0
  O  O5  1  0.430  0.083  0.638  1.0
  O  O6  1  0.638  0.430  0.083  1.0
  O  O7  1  0.583  0.930  0.138  1.0
  O  O8  1  0.138  0.583  0.930  1.0
  O  O9  1  0.083  0.638  0.430  1.0
[/CIF]
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The material described by LuBiO3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. Lu(1) is bonded to six equivalent O(1) atoms to form distorted LuO6 octahedra that share corners with six equivalent Lu(1)O6 octahedra, corners with three equivalent Bi(1)O6 pentagonal pyramids, edges with three equivalent Bi(1)O6 pentagonal pyramids, and  a faceface with one Bi(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 37°. Bi(1) is bonded to six equivalent O(1) atoms to form distorted BiO6 pentagonal pyramids that share corners with three equivalent Lu(1)O6 octahedra, corners with six equivalent Bi(1)O6 pentagonal pyramids, edges with three equivalent Lu(1)O6 octahedra, and  a faceface with one Lu(1)O6 octahedra. The corner-sharing octahedral tilt angles are 69°. O(1) is bonded in a distorted see-saw-like geometry to two equivalent Lu(1) and two equivalent Bi(1) atoms. is represented by the CIF file [CIF]
data_LuBiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.045
_cell_length_b   6.045
_cell_length_c   6.045
_cell_angle_alpha   58.674
_cell_angle_beta   58.674
_cell_angle_gamma   58.674
_symmetry_Int_Tables_number   1
_cell_volume   151.491
_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
  Lu  Lu0  1  0.778  0.778  0.778  1.0
  Lu  Lu1  1  0.278  0.278  0.278  1.0
  Bi  Bi2  1  0.993  0.993  0.993  1.0
  Bi  Bi3  1  0.493  0.493  0.493  1.0
  O  O4  1  0.930  0.138  0.583  1.0
  O  O5  1  0.430  0.083  0.638  1.0
  O  O6  1  0.638  0.430  0.083  1.0
  O  O7  1  0.583  0.930  0.138  1.0
  O  O8  1  0.138  0.583  0.930  1.0
  O  O9  1  0.083  0.638  0.430  1.0
[/CIF]
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