The material described by Bi2O3 crystallizes in the triclinic P1 space group. There are six inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), one O(8), and three equivalent O(9) atoms to form distorted corner-sharing BiO5 trigonal bipyramids. In the second Bi site, Bi(2) is bonded in a 5-coordinate geometry to two equivalent O(4) and three equivalent O(5) atoms. In the third Bi site, Bi(3) is bonded in a 5-coordinate geometry to two equivalent O(1) and three equivalent O(2) atoms. In the fourth Bi site, Bi(4) is bonded to one O(2), one O(4), and three equivalent O(3) atoms to form corner-sharing BiO5 trigonal bipyramids. In the fifth Bi site, Bi(5) is bonded to one O(5), one O(7), and three equivalent O(6) atoms to form corner-sharing BiO5 trigonal bipyramids. In the sixth Bi site, Bi(6) is bonded in a 5-coordinate geometry to two equivalent O(7) and three equivalent O(8) atoms. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Bi(1) and two equivalent Bi(3) atoms. In the second O site, O(2) is bonded to one Bi(4) and three equivalent Bi(3) atoms to form distorted corner-sharing OBi4 tetrahedra. In the third O site, O(3) is bonded in a trigonal planar geometry to three equivalent Bi(4) atoms. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Bi(4) and two equivalent Bi(2) atoms. In the fifth O site, O(5) is bonded to one Bi(5) and three equivalent Bi(2) atoms to form distorted corner-sharing OBi4 tetrahedra. In the sixth O site, O(6) is bonded in a trigonal planar geometry to three equivalent Bi(5) atoms. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Bi(5) and two equivalent Bi(6) atoms. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Bi(1) and three equivalent Bi(6) atoms. In the ninth O site, O(9) is bonded in a trigonal planar geometry to three equivalent Bi(1) atoms. is represented by the CIF file [CIF]
data_Bi2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.769
_cell_length_b   3.927
_cell_length_c   20.466
_cell_angle_alpha   90.951
_cell_angle_beta   94.198
_cell_angle_gamma   115.704
_symmetry_Int_Tables_number   1
_cell_volume   271.812
_cell_formula_units_Z   3
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
  Bi  Bi0  1  0.923  0.942  0.004  1.0
  Bi  Bi1  1  0.421  0.442  0.498  1.0
  Bi  Bi2  1  0.378  0.097  0.836  1.0
  Bi  Bi3  1  0.006  0.446  0.673  1.0
  Bi  Bi4  1  0.056  0.818  0.334  1.0
  Bi  Bi5  1  0.443  0.617  0.159  1.0
  O  O6  1  0.834  0.908  0.893  1.0
  O  O7  1  0.090  0.512  0.788  1.0
  O  O8  1  0.351  0.106  0.683  1.0
  O  O9  1  0.889  0.280  0.559  1.0
  O  O10  1  0.134  0.870  0.450  1.0
  O  O11  1  0.395  0.469  0.341  1.0
  O  O12  1  0.030  0.805  0.220  1.0
  O  O13  1  0.666  0.151  0.108  1.0
  O  O14  1  0.258  0.578  0.995  1.0
[/CIF]
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The material described by Bi2O3 crystallizes in the triclinic P1 space group. There are six inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), one O(8), and three equivalent O(9) atoms to form distorted corner-sharing BiO5 trigonal bipyramids. In the second Bi site, Bi(2) is bonded in a 5-coordinate geometry to two equivalent O(4) and three equivalent O(5) atoms. In the third Bi site, Bi(3) is bonded in a 5-coordinate geometry to two equivalent O(1) and three equivalent O(2) atoms. In the fourth Bi site, Bi(4) is bonded to one O(2), one O(4), and three equivalent O(3) atoms to form corner-sharing BiO5 trigonal bipyramids. In the fifth Bi site, Bi(5) is bonded to one O(5), one O(7), and three equivalent O(6) atoms to form corner-sharing BiO5 trigonal bipyramids. In the sixth Bi site, Bi(6) is bonded in a 5-coordinate geometry to two equivalent O(7) and three equivalent O(8) atoms. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Bi(1) and two equivalent Bi(3) atoms. In the second O site, O(2) is bonded to one Bi(4) and three equivalent Bi(3) atoms to form distorted corner-sharing OBi4 tetrahedra. In the third O site, O(3) is bonded in a trigonal planar geometry to three equivalent Bi(4) atoms. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Bi(4) and two equivalent Bi(2) atoms. In the fifth O site, O(5) is bonded to one Bi(5) and three equivalent Bi(2) atoms to form distorted corner-sharing OBi4 tetrahedra. In the sixth O site, O(6) is bonded in a trigonal planar geometry to three equivalent Bi(5) atoms. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Bi(5) and two equivalent Bi(6) atoms. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Bi(1) and three equivalent Bi(6) atoms. In the ninth O site, O(9) is bonded in a trigonal planar geometry to three equivalent Bi(1) atoms. is represented by the CIF file [CIF]
data_Bi2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.769
_cell_length_b   3.927
_cell_length_c   20.466
_cell_angle_alpha   90.951
_cell_angle_beta   94.198
_cell_angle_gamma   115.704
_symmetry_Int_Tables_number   1
_cell_volume   271.812
_cell_formula_units_Z   3
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
  Bi  Bi0  1  0.923  0.942  0.004  1.0
  Bi  Bi1  1  0.421  0.442  0.498  1.0
  Bi  Bi2  1  0.378  0.097  0.836  1.0
  Bi  Bi3  1  0.006  0.446  0.673  1.0
  Bi  Bi4  1  0.056  0.818  0.334  1.0
  Bi  Bi5  1  0.443  0.617  0.159  1.0
  O  O6  1  0.834  0.908  0.893  1.0
  O  O7  1  0.090  0.512  0.788  1.0
  O  O8  1  0.351  0.106  0.683  1.0
  O  O9  1  0.889  0.280  0.559  1.0
  O  O10  1  0.134  0.870  0.450  1.0
  O  O11  1  0.395  0.469  0.341  1.0
  O  O12  1  0.030  0.805  0.220  1.0
  O  O13  1  0.666  0.151  0.108  1.0
  O  O14  1  0.258  0.578  0.995  1.0
[/CIF]
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