The structure described by BiAlO3 crystallizes in the orthorhombic Pnma space group. Al(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form AlO4 tetrahedra that share corners with eight equivalent Bi(1)O6 octahedra and corners with two equivalent Al(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-87°. Bi(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted BiO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra and corners with eight equivalent Al(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 64-70°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Al(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Al(1) and two equivalent Bi(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlBiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.385
_cell_length_b   5.396
_cell_length_c   9.425
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   273.845
_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
  Al  Al0  1  0.958  0.031  0.250  1.0
  Al  Al1  1  0.458  0.469  0.750  1.0
  Al  Al2  1  0.542  0.531  0.250  1.0
  Al  Al3  1  0.042  0.969  0.750  1.0
  Bi  Bi4  1  0.000  0.500  0.000  1.0
  Bi  Bi5  1  0.500  0.000  0.000  1.0
  Bi  Bi6  1  0.500  0.000  0.500  1.0
  Bi  Bi7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.626  0.369  0.899  1.0
  O  O9  1  0.126  0.131  0.101  1.0
  O  O10  1  0.874  0.869  0.601  1.0
  O  O11  1  0.374  0.631  0.399  1.0
  O  O12  1  0.374  0.631  0.101  1.0
  O  O13  1  0.874  0.869  0.899  1.0
  O  O14  1  0.126  0.131  0.399  1.0
  O  O15  1  0.626  0.369  0.601  1.0
  O  O16  1  0.168  0.285  0.750  1.0
  O  O17  1  0.668  0.215  0.250  1.0
  O  O18  1  0.332  0.785  0.750  1.0
  O  O19  1  0.832  0.715  0.250  1.0
[/CIF]
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The structure described by BiAlO3 crystallizes in the orthorhombic Pnma space group. Al(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form AlO4 tetrahedra that share corners with eight equivalent Bi(1)O6 octahedra and corners with two equivalent Al(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-87°. Bi(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted BiO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra and corners with eight equivalent Al(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 64-70°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Al(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Al(1) and two equivalent Bi(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlBiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.385
_cell_length_b   5.396
_cell_length_c   9.425
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   273.845
_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
  Al  Al0  1  0.958  0.031  0.250  1.0
  Al  Al1  1  0.458  0.469  0.750  1.0
  Al  Al2  1  0.542  0.531  0.250  1.0
  Al  Al3  1  0.042  0.969  0.750  1.0
  Bi  Bi4  1  0.000  0.500  0.000  1.0
  Bi  Bi5  1  0.500  0.000  0.000  1.0
  Bi  Bi6  1  0.500  0.000  0.500  1.0
  Bi  Bi7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.626  0.369  0.899  1.0
  O  O9  1  0.126  0.131  0.101  1.0
  O  O10  1  0.874  0.869  0.601  1.0
  O  O11  1  0.374  0.631  0.399  1.0
  O  O12  1  0.374  0.631  0.101  1.0
  O  O13  1  0.874  0.869  0.899  1.0
  O  O14  1  0.126  0.131  0.399  1.0
  O  O15  1  0.626  0.369  0.601  1.0
  O  O16  1  0.168  0.285  0.750  1.0
  O  O17  1  0.668  0.215  0.250  1.0
  O  O18  1  0.332  0.785  0.750  1.0
  O  O19  1  0.832  0.715  0.250  1.0
[/CIF]
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