The material described by Bi3O5 crystallizes in the monoclinic C2/c space group. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. In the second Bi site, Bi(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Bi(2) and three equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing OBi4 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Bi(2) and three equivalent Bi(1) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent Bi(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Bi3O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.730
_cell_length_b   6.730
_cell_length_c   8.309
_cell_angle_alpha   71.220
_cell_angle_beta   71.220
_cell_angle_gamma   50.369
_symmetry_Int_Tables_number   1
_cell_volume   270.853
_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
  Bi  Bi0  1  0.681  0.689  0.158  1.0
  Bi  Bi1  1  0.689  0.681  0.658  1.0
  Bi  Bi2  1  0.000  0.000  0.000  1.0
  Bi  Bi3  1  0.000  0.000  0.500  1.0
  Bi  Bi4  1  0.319  0.311  0.842  1.0
  Bi  Bi5  1  0.311  0.319  0.342  1.0
  O  O6  1  0.911  0.414  0.889  1.0
  O  O7  1  0.921  0.394  0.451  1.0
  O  O8  1  0.394  0.921  0.951  1.0
  O  O9  1  0.414  0.911  0.389  1.0
  O  O10  1  0.606  0.079  0.049  1.0
  O  O11  1  0.891  0.109  0.250  1.0
  O  O12  1  0.586  0.089  0.611  1.0
  O  O13  1  0.109  0.891  0.750  1.0
  O  O14  1  0.079  0.606  0.549  1.0
  O  O15  1  0.089  0.586  0.111  1.0
[/CIF]
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The material described by Bi3O5 crystallizes in the monoclinic C2/c space group. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. In the second Bi site, Bi(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Bi(2) and three equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing OBi4 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Bi(2) and three equivalent Bi(1) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent Bi(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Bi3O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.730
_cell_length_b   6.730
_cell_length_c   8.309
_cell_angle_alpha   71.220
_cell_angle_beta   71.220
_cell_angle_gamma   50.369
_symmetry_Int_Tables_number   1
_cell_volume   270.853
_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
  Bi  Bi0  1  0.681  0.689  0.158  1.0
  Bi  Bi1  1  0.689  0.681  0.658  1.0
  Bi  Bi2  1  0.000  0.000  0.000  1.0
  Bi  Bi3  1  0.000  0.000  0.500  1.0
  Bi  Bi4  1  0.319  0.311  0.842  1.0
  Bi  Bi5  1  0.311  0.319  0.342  1.0
  O  O6  1  0.911  0.414  0.889  1.0
  O  O7  1  0.921  0.394  0.451  1.0
  O  O8  1  0.394  0.921  0.951  1.0
  O  O9  1  0.414  0.911  0.389  1.0
  O  O10  1  0.606  0.079  0.049  1.0
  O  O11  1  0.891  0.109  0.250  1.0
  O  O12  1  0.586  0.089  0.611  1.0
  O  O13  1  0.109  0.891  0.750  1.0
  O  O14  1  0.079  0.606  0.549  1.0
  O  O15  1  0.089  0.586  0.111  1.0
[/CIF]
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