The material described by BiInO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pna2_1 space group. In(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing InO6 octahedra. The corner-sharing octahedral tilt angles range from 38-41°. Bi(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent In(1) and two equivalent Bi(1) atoms to form distorted edge-sharing OIn2Bi2 trigonal pyramids. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to two equivalent In(1) and two equivalent Bi(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent In(1) and two equivalent Bi(1) atoms. is represented by the CIF file [CIF]
data_InBiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.710
_cell_length_b   6.055
_cell_length_c   8.418
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   291.075
_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
  In  In0  1  1.000  0.501  0.515  1.0
  In  In1  1  0.000  0.499  0.015  1.0
  In  In2  1  0.500  0.999  0.015  1.0
  In  In3  1  0.500  0.001  0.515  1.0
  Bi  Bi4  1  0.998  0.939  0.793  1.0
  Bi  Bi5  1  0.502  0.439  0.793  1.0
  Bi  Bi6  1  0.498  0.561  0.293  1.0
  Bi  Bi7  1  0.002  0.061  0.293  1.0
  O  O8  1  0.802  0.793  0.435  1.0
  O  O9  1  0.116  0.449  0.258  1.0
  O  O10  1  0.884  0.551  0.758  1.0
  O  O11  1  0.159  0.162  0.529  1.0
  O  O12  1  0.659  0.338  0.029  1.0
  O  O13  1  0.341  0.662  0.529  1.0
  O  O14  1  0.841  0.838  0.029  1.0
  O  O15  1  0.616  0.051  0.758  1.0
  O  O16  1  0.198  0.207  0.935  1.0
  O  O17  1  0.698  0.293  0.435  1.0
  O  O18  1  0.384  0.949  0.258  1.0
  O  O19  1  0.302  0.707  0.935  1.0
[/CIF]
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The material described by BiInO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pna2_1 space group. In(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing InO6 octahedra. The corner-sharing octahedral tilt angles range from 38-41°. Bi(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent In(1) and two equivalent Bi(1) atoms to form distorted edge-sharing OIn2Bi2 trigonal pyramids. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to two equivalent In(1) and two equivalent Bi(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent In(1) and two equivalent Bi(1) atoms. is represented by the CIF file [CIF]
data_InBiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.710
_cell_length_b   6.055
_cell_length_c   8.418
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   291.075
_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
  In  In0  1  1.000  0.501  0.515  1.0
  In  In1  1  0.000  0.499  0.015  1.0
  In  In2  1  0.500  0.999  0.015  1.0
  In  In3  1  0.500  0.001  0.515  1.0
  Bi  Bi4  1  0.998  0.939  0.793  1.0
  Bi  Bi5  1  0.502  0.439  0.793  1.0
  Bi  Bi6  1  0.498  0.561  0.293  1.0
  Bi  Bi7  1  0.002  0.061  0.293  1.0
  O  O8  1  0.802  0.793  0.435  1.0
  O  O9  1  0.116  0.449  0.258  1.0
  O  O10  1  0.884  0.551  0.758  1.0
  O  O11  1  0.159  0.162  0.529  1.0
  O  O12  1  0.659  0.338  0.029  1.0
  O  O13  1  0.341  0.662  0.529  1.0
  O  O14  1  0.841  0.838  0.029  1.0
  O  O15  1  0.616  0.051  0.758  1.0
  O  O16  1  0.198  0.207  0.935  1.0
  O  O17  1  0.698  0.293  0.435  1.0
  O  O18  1  0.384  0.949  0.258  1.0
  O  O19  1  0.302  0.707  0.935  1.0
[/CIF]
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