The compound described by BiYO3 crystallizes in the orthorhombic Pnma space group. Y(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. Bi(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Y(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to two equivalent Y(1) and two equivalent Bi(1) atoms. is represented by the CIF file [CIF]
data_YBiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.888
_cell_length_b   6.149
_cell_length_c   8.668
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   313.811
_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
  Y  Y0  1  0.009  0.952  0.750  1.0
  Y  Y1  1  0.509  0.548  0.250  1.0
  Y  Y2  1  0.491  0.452  0.750  1.0
  Y  Y3  1  0.991  0.048  0.250  1.0
  Bi  Bi4  1  0.000  0.500  0.500  1.0
  Bi  Bi5  1  0.500  0.000  0.500  1.0
  Bi  Bi6  1  0.500  0.000  0.000  1.0
  Bi  Bi7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.671  0.324  0.417  1.0
  O  O9  1  0.171  0.176  0.583  1.0
  O  O10  1  0.829  0.824  0.083  1.0
  O  O11  1  0.329  0.676  0.917  1.0
  O  O12  1  0.329  0.676  0.583  1.0
  O  O13  1  0.829  0.824  0.417  1.0
  O  O14  1  0.171  0.176  0.917  1.0
  O  O15  1  0.671  0.324  0.083  1.0
  O  O16  1  0.166  0.394  0.250  1.0
  O  O17  1  0.666  0.106  0.750  1.0
  O  O18  1  0.334  0.894  0.250  1.0
  O  O19  1  0.834  0.606  0.750  1.0
[/CIF]
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The compound described by BiYO3 crystallizes in the orthorhombic Pnma space group. Y(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. Bi(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Y(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to two equivalent Y(1) and two equivalent Bi(1) atoms. is represented by the CIF file [CIF]
data_YBiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.888
_cell_length_b   6.149
_cell_length_c   8.668
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   313.811
_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
  Y  Y0  1  0.009  0.952  0.750  1.0
  Y  Y1  1  0.509  0.548  0.250  1.0
  Y  Y2  1  0.491  0.452  0.750  1.0
  Y  Y3  1  0.991  0.048  0.250  1.0
  Bi  Bi4  1  0.000  0.500  0.500  1.0
  Bi  Bi5  1  0.500  0.000  0.500  1.0
  Bi  Bi6  1  0.500  0.000  0.000  1.0
  Bi  Bi7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.671  0.324  0.417  1.0
  O  O9  1  0.171  0.176  0.583  1.0
  O  O10  1  0.829  0.824  0.083  1.0
  O  O11  1  0.329  0.676  0.917  1.0
  O  O12  1  0.329  0.676  0.583  1.0
  O  O13  1  0.829  0.824  0.417  1.0
  O  O14  1  0.171  0.176  0.917  1.0
  O  O15  1  0.671  0.324  0.083  1.0
  O  O16  1  0.166  0.394  0.250  1.0
  O  O17  1  0.666  0.106  0.750  1.0
  O  O18  1  0.334  0.894  0.250  1.0
  O  O19  1  0.834  0.606  0.750  1.0
[/CIF]
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