The structure described by BiO2 crystallizes in the triclinic P1 space group. There are sixteen inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(10), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form edge-sharing BiO6 octahedra. In the second Bi site, Bi(2) is bonded in a 5-coordinate geometry to one O(11), one O(12), one O(6), one O(7), and one O(9) atom. In the third Bi site, Bi(3) is bonded to one O(1), one O(10), one O(12), one O(2), one O(4), and one O(5) atom to form edge-sharing BiO6 octahedra. In the fourth Bi site, Bi(4) is bonded to one O(13), one O(15), one O(17), one O(19), one O(20), and one O(8) atom to form a mixture of edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 49-59°. In the fifth Bi site, Bi(5) is bonded to one O(11), one O(14), one O(15), one O(18), one O(8), and one O(9) atom to form a mixture of edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 42-59°. In the sixth Bi site, Bi(6) is bonded in a 6-coordinate geometry to one O(12), one O(18), one O(5), one O(6), one O(7), and one O(9) atom. In the seventh Bi site, Bi(7) is bonded to one O(16), one O(22), one O(23), one O(25), one O(27), and one O(28) atom to form a mixture of edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. In the eighth Bi site, Bi(8) is bonded to one O(11), one O(14), one O(18), one O(20), one O(6), and one O(8) atom to form a mixture of edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 44-57°. In the ninth Bi site, Bi(9) is bonded to one O(16), one O(17), one O(19), one O(21), one O(23), and one O(26) atom to form a mixture of edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the tenth Bi site, Bi(10) is bonded to one O(13), one O(14), one O(15), one O(17), one O(20), and one O(26) atom to form a mixture of edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 42-55°. In the eleventh Bi site, Bi(11) is bonded to one O(13), one O(16), one O(19), one O(21), one O(26), and one O(28) atom to form a mixture of edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 48-57°. In the twelfth Bi site, Bi(12) is bonded to one O(22), one O(24), one O(27), one O(29), one O(31), and one O(32) atom to form a mixture of distorted edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. In the thirteenth Bi site, Bi(13) is bonded to one O(24), one O(25), one O(27), one O(29), one O(30), and one O(31) atom to form a mixture of distorted edge and corner-sharing BiO6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 50-55°. In the fourteenth Bi site, Bi(14) is bonded to one O(21), one O(22), one O(23), one O(25), one O(28), and one O(31) atom to form a mixture of edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. In the fifteenth Bi site, Bi(15) is bonded to one O(1), one O(29), one O(3), one O(30), one O(32), and one O(4) atom to form edge-sharing BiO6 octahedra. In the sixteenth Bi site, Bi(16) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(24), one O(29), one O(3), one O(30), and one O(32) atom. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Bi(15), one Bi(16), and one Bi(3) atom. In the second O site, O(2) is bonded in a water-like geometry to one Bi(1) and one Bi(3) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Bi(1), one Bi(15), and one Bi(16) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Bi(1), one Bi(15), and one Bi(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Bi(1), one Bi(3), and one Bi(6) atom. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one Bi(2), one Bi(6), and one Bi(8) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Bi(1), one Bi(2), and one Bi(6) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Bi(4), one Bi(5), and one Bi(8) atom. In the ninth O site, O(9) is bonded in a trigonal non-coplanar geometry to one Bi(2), one Bi(5), and one Bi(6) atom. In the tenth O site, O(10) is bonded in a trigonal non-coplanar geometry to one Bi(1), one Bi(16), and one Bi(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Bi(2), one Bi(5), and one Bi(8) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Bi(2), one Bi(3), and one Bi(6) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Bi(10), one Bi(11), and one Bi(4) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Bi(10), one Bi(5), and one Bi(8) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Bi(10), one Bi(4), and one Bi(5) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Bi(11), one Bi(7), and one Bi(9) atom. In the seventeenth O site, O(17) is bonded in a trigonal planar geometry to one Bi(10), one Bi(4), and one Bi(9) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Bi(5), one Bi(6), and one Bi(8) atom. In the nineteenth O site, O(19) is bonded in a trigonal planar geometry to one Bi(11), one Bi(4), and one Bi(9) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Bi(10), one Bi(4), and one Bi(8) atom. In the twenty-first O site, O(21) is bonded in a trigonal planar geometry to one Bi(11), one Bi(14), and one Bi(9) atom. In the twenty-second O site, O(22) is bonded in a trigonal planar geometry to one Bi(12), one Bi(14), and one Bi(7) atom. In the twenty-third O site, O(23) is bonded in a trigonal planar geometry to one Bi(14), one Bi(7), and one Bi(9) atom. In the twenty-fourth O site, O(24) is bonded in a trigonal non-coplanar geometry to one Bi(12), one Bi(13), and one Bi(16) atom. In the twenty-fifth O site, O(25) is bonded in a trigonal planar geometry to one Bi(13), one Bi(14), and one Bi(7) atom. In the twenty-sixth O site, O(26) is bonded in a trigonal planar geometry to one Bi(10), one Bi(11), and one Bi(9) atom. In the twenty-seventh O site, O(27) is bonded in a distorted trigonal planar geometry to one Bi(12), one Bi(13), and one Bi(7) atom. In the twenty-eighth O site, O(28) is bonded in a trigonal planar geometry to one Bi(11), one Bi(14), and one Bi(7) atom. In the twenty-ninth O site, O(29) is bonded in a distorted tetrahedral geometry to one Bi(12), one Bi(13), one Bi(15), and one Bi(16) atom. In the thirtieth O site, O(30) is bonded in a trigonal non-coplanar geometry to one Bi(13), one Bi(15), and one Bi(16) atom. In the thirty-first O site, O(31) is bonded in a distorted trigonal planar geometry to one Bi(12), one Bi(13), and one Bi(14) atom. In the thirty-second O site, O(32) is bonded in a trigonal non-coplanar geometry to one Bi(12), one Bi(15), and one Bi(16) atom. is represented by the CIF card [CIF]
data_BiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.166
_cell_length_b   6.174
_cell_length_c   22.275
_cell_angle_alpha   93.361
_cell_angle_beta   97.004
_cell_angle_gamma   110.261
_symmetry_Int_Tables_number   1
_cell_volume   784.912
_cell_formula_units_Z   16
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  0.771  0.361  0.125  1.0
  Bi  Bi1  1  0.454  0.309  0.263  1.0
  Bi  Bi2  1  0.264  0.854  0.124  1.0
  Bi  Bi3  1  0.686  0.315  0.503  1.0
  Bi  Bi4  1  0.111  0.273  0.384  1.0
  Bi  Bi5  1  0.849  0.893  0.244  1.0
  Bi  Bi6  1  0.315  0.927  0.746  1.0
  Bi  Bi7  1  0.607  0.772  0.383  1.0
  Bi  Bi8  1  0.754  0.868  0.626  1.0
  Bi  Bi9  1  0.179  0.825  0.505  1.0
  Bi  Bi10  1  0.253  0.371  0.625  1.0
  Bi  Bi11  1  0.875  0.995  0.873  1.0
  Bi  Bi12  1  0.375  0.500  0.873  1.0
  Bi  Bi13  1  0.826  0.424  0.746  1.0
  Bi  Bi14  1  0.039  0.455  0.992  1.0
  Bi  Bi15  1  0.483  0.000  0.981  1.0
  O  O16  1  0.365  0.692  0.047  1.0
  O  O17  1  0.128  0.542  0.169  1.0
  O  O18  1  0.856  0.184  0.047  1.0
  O  O19  1  0.915  0.648  0.062  1.0
  O  O20  1  0.623  0.059  0.181  1.0
  O  O21  1  0.754  0.625  0.316  1.0
  O  O22  1  0.654  0.556  0.186  1.0
  O  O23  1  0.489  0.453  0.429  1.0
  O  O24  1  0.189  0.063  0.315  1.0
  O  O25  1  0.414  0.164  0.077  1.0
  O  O26  1  0.288  0.540  0.322  1.0
  O  O27  1  0.129  0.032  0.185  1.0
  O  O28  1  0.354  0.181  0.547  1.0
  O  O29  1  0.961  0.960  0.436  1.0
  O  O30  1  0.021  0.482  0.452  1.0
  O  O31  1  0.119  0.036  0.673  1.0
  O  O32  1  0.876  0.691  0.555  1.0
  O  O33  1  0.732  0.085  0.332  1.0
  O  O34  1  0.871  0.181  0.582  1.0
  O  O35  1  0.467  0.942  0.447  1.0
  O  O36  1  0.643  0.546  0.670  1.0
  O  O37  1  0.996  0.787  0.788  1.0
  O  O38  1  0.633  0.050  0.697  1.0
  O  O39  1  0.660  0.777  0.939  1.0
  O  O40  1  0.495  0.291  0.784  1.0
  O  O41  1  0.395  0.708  0.576  1.0
  O  O42  1  0.496  0.830  0.822  1.0
  O  O43  1  0.148  0.566  0.700  1.0
  O  O44  1  0.207  0.247  0.948  1.0
  O  O45  1  0.165  0.683  0.924  1.0
  O  O46  1  0.009  0.301  0.814  1.0
  O  O47  1  0.742  0.260  0.925  1.0
[/CIF]
.
The structure described by BiO2 crystallizes in the triclinic P1 space group. There are sixteen inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(10), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form edge-sharing BiO6 octahedra. In the second Bi site, Bi(2) is bonded in a 5-coordinate geometry to one O(11), one O(12), one O(6), one O(7), and one O(9) atom. In the third Bi site, Bi(3) is bonded to one O(1), one O(10), one O(12), one O(2), one O(4), and one O(5) atom to form edge-sharing BiO6 octahedra. In the fourth Bi site, Bi(4) is bonded to one O(13), one O(15), one O(17), one O(19), one O(20), and one O(8) atom to form a mixture of edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 49-59°. In the fifth Bi site, Bi(5) is bonded to one O(11), one O(14), one O(15), one O(18), one O(8), and one O(9) atom to form a mixture of edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 42-59°. In the sixth Bi site, Bi(6) is bonded in a 6-coordinate geometry to one O(12), one O(18), one O(5), one O(6), one O(7), and one O(9) atom. In the seventh Bi site, Bi(7) is bonded to one O(16), one O(22), one O(23), one O(25), one O(27), and one O(28) atom to form a mixture of edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. In the eighth Bi site, Bi(8) is bonded to one O(11), one O(14), one O(18), one O(20), one O(6), and one O(8) atom to form a mixture of edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 44-57°. In the ninth Bi site, Bi(9) is bonded to one O(16), one O(17), one O(19), one O(21), one O(23), and one O(26) atom to form a mixture of edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the tenth Bi site, Bi(10) is bonded to one O(13), one O(14), one O(15), one O(17), one O(20), and one O(26) atom to form a mixture of edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 42-55°. In the eleventh Bi site, Bi(11) is bonded to one O(13), one O(16), one O(19), one O(21), one O(26), and one O(28) atom to form a mixture of edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 48-57°. In the twelfth Bi site, Bi(12) is bonded to one O(22), one O(24), one O(27), one O(29), one O(31), and one O(32) atom to form a mixture of distorted edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. In the thirteenth Bi site, Bi(13) is bonded to one O(24), one O(25), one O(27), one O(29), one O(30), and one O(31) atom to form a mixture of distorted edge and corner-sharing BiO6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 50-55°. In the fourteenth Bi site, Bi(14) is bonded to one O(21), one O(22), one O(23), one O(25), one O(28), and one O(31) atom to form a mixture of edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. In the fifteenth Bi site, Bi(15) is bonded to one O(1), one O(29), one O(3), one O(30), one O(32), and one O(4) atom to form edge-sharing BiO6 octahedra. In the sixteenth Bi site, Bi(16) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(24), one O(29), one O(3), one O(30), and one O(32) atom. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Bi(15), one Bi(16), and one Bi(3) atom. In the second O site, O(2) is bonded in a water-like geometry to one Bi(1) and one Bi(3) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Bi(1), one Bi(15), and one Bi(16) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Bi(1), one Bi(15), and one Bi(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Bi(1), one Bi(3), and one Bi(6) atom. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one Bi(2), one Bi(6), and one Bi(8) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Bi(1), one Bi(2), and one Bi(6) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Bi(4), one Bi(5), and one Bi(8) atom. In the ninth O site, O(9) is bonded in a trigonal non-coplanar geometry to one Bi(2), one Bi(5), and one Bi(6) atom. In the tenth O site, O(10) is bonded in a trigonal non-coplanar geometry to one Bi(1), one Bi(16), and one Bi(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Bi(2), one Bi(5), and one Bi(8) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Bi(2), one Bi(3), and one Bi(6) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Bi(10), one Bi(11), and one Bi(4) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Bi(10), one Bi(5), and one Bi(8) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Bi(10), one Bi(4), and one Bi(5) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Bi(11), one Bi(7), and one Bi(9) atom. In the seventeenth O site, O(17) is bonded in a trigonal planar geometry to one Bi(10), one Bi(4), and one Bi(9) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Bi(5), one Bi(6), and one Bi(8) atom. In the nineteenth O site, O(19) is bonded in a trigonal planar geometry to one Bi(11), one Bi(4), and one Bi(9) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Bi(10), one Bi(4), and one Bi(8) atom. In the twenty-first O site, O(21) is bonded in a trigonal planar geometry to one Bi(11), one Bi(14), and one Bi(9) atom. In the twenty-second O site, O(22) is bonded in a trigonal planar geometry to one Bi(12), one Bi(14), and one Bi(7) atom. In the twenty-third O site, O(23) is bonded in a trigonal planar geometry to one Bi(14), one Bi(7), and one Bi(9) atom. In the twenty-fourth O site, O(24) is bonded in a trigonal non-coplanar geometry to one Bi(12), one Bi(13), and one Bi(16) atom. In the twenty-fifth O site, O(25) is bonded in a trigonal planar geometry to one Bi(13), one Bi(14), and one Bi(7) atom. In the twenty-sixth O site, O(26) is bonded in a trigonal planar geometry to one Bi(10), one Bi(11), and one Bi(9) atom. In the twenty-seventh O site, O(27) is bonded in a distorted trigonal planar geometry to one Bi(12), one Bi(13), and one Bi(7) atom. In the twenty-eighth O site, O(28) is bonded in a trigonal planar geometry to one Bi(11), one Bi(14), and one Bi(7) atom. In the twenty-ninth O site, O(29) is bonded in a distorted tetrahedral geometry to one Bi(12), one Bi(13), one Bi(15), and one Bi(16) atom. In the thirtieth O site, O(30) is bonded in a trigonal non-coplanar geometry to one Bi(13), one Bi(15), and one Bi(16) atom. In the thirty-first O site, O(31) is bonded in a distorted trigonal planar geometry to one Bi(12), one Bi(13), and one Bi(14) atom. In the thirty-second O site, O(32) is bonded in a trigonal non-coplanar geometry to one Bi(12), one Bi(15), and one Bi(16) atom. is represented by the CIF card [CIF]
data_BiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.166
_cell_length_b   6.174
_cell_length_c   22.275
_cell_angle_alpha   93.361
_cell_angle_beta   97.004
_cell_angle_gamma   110.261
_symmetry_Int_Tables_number   1
_cell_volume   784.912
_cell_formula_units_Z   16
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  0.771  0.361  0.125  1.0
  Bi  Bi1  1  0.454  0.309  0.263  1.0
  Bi  Bi2  1  0.264  0.854  0.124  1.0
  Bi  Bi3  1  0.686  0.315  0.503  1.0
  Bi  Bi4  1  0.111  0.273  0.384  1.0
  Bi  Bi5  1  0.849  0.893  0.244  1.0
  Bi  Bi6  1  0.315  0.927  0.746  1.0
  Bi  Bi7  1  0.607  0.772  0.383  1.0
  Bi  Bi8  1  0.754  0.868  0.626  1.0
  Bi  Bi9  1  0.179  0.825  0.505  1.0
  Bi  Bi10  1  0.253  0.371  0.625  1.0
  Bi  Bi11  1  0.875  0.995  0.873  1.0
  Bi  Bi12  1  0.375  0.500  0.873  1.0
  Bi  Bi13  1  0.826  0.424  0.746  1.0
  Bi  Bi14  1  0.039  0.455  0.992  1.0
  Bi  Bi15  1  0.483  0.000  0.981  1.0
  O  O16  1  0.365  0.692  0.047  1.0
  O  O17  1  0.128  0.542  0.169  1.0
  O  O18  1  0.856  0.184  0.047  1.0
  O  O19  1  0.915  0.648  0.062  1.0
  O  O20  1  0.623  0.059  0.181  1.0
  O  O21  1  0.754  0.625  0.316  1.0
  O  O22  1  0.654  0.556  0.186  1.0
  O  O23  1  0.489  0.453  0.429  1.0
  O  O24  1  0.189  0.063  0.315  1.0
  O  O25  1  0.414  0.164  0.077  1.0
  O  O26  1  0.288  0.540  0.322  1.0
  O  O27  1  0.129  0.032  0.185  1.0
  O  O28  1  0.354  0.181  0.547  1.0
  O  O29  1  0.961  0.960  0.436  1.0
  O  O30  1  0.021  0.482  0.452  1.0
  O  O31  1  0.119  0.036  0.673  1.0
  O  O32  1  0.876  0.691  0.555  1.0
  O  O33  1  0.732  0.085  0.332  1.0
  O  O34  1  0.871  0.181  0.582  1.0
  O  O35  1  0.467  0.942  0.447  1.0
  O  O36  1  0.643  0.546  0.670  1.0
  O  O37  1  0.996  0.787  0.788  1.0
  O  O38  1  0.633  0.050  0.697  1.0
  O  O39  1  0.660  0.777  0.939  1.0
  O  O40  1  0.495  0.291  0.784  1.0
  O  O41  1  0.395  0.708  0.576  1.0
  O  O42  1  0.496  0.830  0.822  1.0
  O  O43  1  0.148  0.566  0.700  1.0
  O  O44  1  0.207  0.247  0.948  1.0
  O  O45  1  0.165  0.683  0.924  1.0
  O  O46  1  0.009  0.301  0.814  1.0
  O  O47  1  0.742  0.260  0.925  1.0
[/CIF]
.