The structure described by V16Bi3O32 crystallizes in the triclinic P1 space group. There are sixteen inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(20), one O(21), one O(22), one O(24), and one O(3) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. In the second V site, V(2) is bonded to one O(1), one O(15), one O(25), one O(3), one O(4), and one O(5) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the third V site, V(3) is bonded to one O(2), one O(27), one O(29), one O(3), one O(6), and one O(7) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the fourth V site, V(4) is bonded to one O(10), one O(23), one O(4), one O(5), one O(7), and one O(9) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the fifth V site, V(5) is bonded to one O(13), one O(14), one O(31), one O(6), one O(7), and one O(8) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. In the sixth V site, V(6) is bonded to one O(1), one O(11), one O(15), one O(16), one O(32), and one O(8) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. In the seventh V site, V(7) is bonded to one O(10), one O(14), one O(17), one O(18), one O(28), and one O(9) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 50-54°. In the eighth V site, V(8) is bonded to one O(11), one O(12), one O(17), one O(19), one O(20), and one O(21) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. In the ninth V site, V(9) is bonded to one O(12), one O(13), one O(14), one O(16), one O(21), and one O(22) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 51-56°. In the tenth V site, V(10) is bonded to one O(15), one O(16), one O(19), one O(23), one O(24), and one O(5) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 45-55°. In the eleventh V site, V(11) is bonded to one O(1), one O(17), one O(18), one O(22), one O(25), and one O(32) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. In the twelfth V site, V(12) is bonded to one O(19), one O(2), one O(20), one O(25), one O(26), and one O(27) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. In the thirteenth V site, V(13) is bonded to one O(10), one O(23), one O(24), one O(26), one O(28), and one O(29) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. In the fourteenth V site, V(14) is bonded to one O(26), one O(27), one O(30), one O(31), one O(4), and one O(6) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the fifteenth V site, V(15) is bonded to one O(18), one O(28), one O(29), one O(30), one O(32), and one O(8) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. In the sixteenth V site, V(16) is bonded to one O(11), one O(12), one O(13), one O(30), one O(31), and one O(9) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted rectangular see-saw-like geometry to one O(12), one O(18), one O(28), and one O(6) atom. In the second Bi site, Bi(2) is bonded in a distorted rectangular see-saw-like geometry to one O(15), one O(21), one O(27), and one O(5) atom. In the third Bi site, Bi(3) is bonded in a rectangular see-saw-like geometry to one O(10), one O(2), one O(23), and one O(31) atom. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one V(11), one V(2), and one V(6) atom. In the second O site, O(2) is bonded to one V(1), one V(12), one V(3), and one Bi(3) atom to form distorted corner-sharing OV3Bi trigonal pyramids. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(1), one V(2), and one V(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(14), one V(2), and one V(4) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one V(10), one V(2), one V(4), and one Bi(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one V(14), one V(3), one V(5), and one Bi(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one V(3), one V(4), and one V(5) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one V(15), one V(5), and one V(6) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one V(16), one V(4), and one V(7) atom. In the tenth O site, O(10) is bonded to one V(13), one V(4), one V(7), and one Bi(3) atom to form a mixture of distorted edge and corner-sharing OV3Bi trigonal pyramids. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one V(16), one V(6), and one V(8) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one V(16), one V(8), one V(9), and one Bi(1) atom. In the thirteenth O site, O(13) is bonded in a trigonal non-coplanar geometry to one V(16), one V(5), and one V(9) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one V(5), one V(7), and one V(9) atom. In the fifteenth O site, O(15) is bonded in a distorted rectangular see-saw-like geometry to one V(10), one V(2), one V(6), and one Bi(2) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one V(10), one V(6), and one V(9) atom. In the seventeenth O site, O(17) is bonded in a trigonal planar geometry to one V(11), one V(7), and one V(8) atom. In the eighteenth O site, O(18) is bonded in a rectangular see-saw-like geometry to one V(11), one V(15), one V(7), and one Bi(1) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one V(10), one V(12), and one V(8) atom. In the twentieth O site, O(20) is bonded in a trigonal non-coplanar geometry to one V(1), one V(12), and one V(8) atom. In the twenty-first O site, O(21) is bonded to one V(1), one V(8), one V(9), and one Bi(2) atom to form distorted corner-sharing OV3Bi trigonal pyramids. In the twenty-second O site, O(22) is bonded in a distorted trigonal planar geometry to one V(1), one V(11), and one V(9) atom. In the twenty-third O site, O(23) is bonded to one V(10), one V(13), one V(4), and one Bi(3) atom to form a mixture of distorted edge and corner-sharing OV3Bi tetrahedra. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal planar geometry to one V(1), one V(10), and one V(13) atom. In the twenty-fifth O site, O(25) is bonded in a distorted trigonal planar geometry to one V(11), one V(12), and one V(2) atom. In the twenty-sixth O site, O(26) is bonded in a trigonal planar geometry to one V(12), one V(13), and one V(14) atom. In the twenty-seventh O site, O(27) is bonded in a 4-coordinate geometry to one V(12), one V(14), one V(3), and one Bi(2) atom. In the twenty-eighth O site, O(28) is bonded in a rectangular see-saw-like geometry to one V(13), one V(15), one V(7), and one Bi(1) atom. In the twenty-ninth O site, O(29) is bonded in a distorted trigonal planar geometry to one V(13), one V(15), and one V(3) atom. In the thirtieth O site, O(30) is bonded in a trigonal planar geometry to one V(14), one V(15), and one V(16) atom. In the thirty-first O site, O(31) is bonded in a distorted rectangular see-saw-like geometry to one V(14), one V(16), one V(5), and one Bi(3) atom. In the thirty-second O site, O(32) is bonded in a distorted trigonal non-coplanar geometry to one V(11), one V(15), and one V(6) atom. is represented by the CIF file [CIF]
data_V16Bi3O32
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.329
_cell_length_b   12.881
_cell_length_c   10.449
_cell_angle_alpha   52.149
_cell_angle_beta   42.725
_cell_angle_gamma   33.062
_symmetry_Int_Tables_number   1
_cell_volume   614.243
_cell_formula_units_Z   1
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
  V  V0  1  0.015  0.188  0.518  1.0
  V  V1  1  0.086  0.482  0.184  1.0
  V  V2  1  0.257  0.190  0.526  1.0
  V  V3  1  0.340  0.479  0.185  1.0
  V  V4  1  0.513  0.186  0.521  1.0
  V  V5  1  0.160  0.518  0.819  1.0
  V  V6  1  0.591  0.478  0.183  1.0
  V  V7  1  0.238  0.810  0.483  1.0
  V  V8  1  0.765  0.186  0.512  1.0
  V  V9  1  0.406  0.525  0.812  1.0
  V  V10  1  0.840  0.479  0.181  1.0
  V  V11  1  0.489  0.815  0.478  1.0
  V  V12  1  0.653  0.523  0.818  1.0
  V  V13  1  0.738  0.812  0.479  1.0
  V  V14  1  0.910  0.519  0.817  1.0
  V  V15  1  0.986  0.811  0.481  1.0
  Bi  Bi16  1  0.277  0.984  0.018  1.0
  Bi  Bi17  1  0.739  0.015  0.979  1.0
  Bi  Bi18  1  0.994  0.008  0.003  1.0
  O  O19  1  0.161  0.363  0.038  1.0
  O  O20  1  0.175  0.045  0.658  1.0
  O  O21  1  0.125  0.295  0.387  1.0
  O  O22  1  0.012  0.628  0.297  1.0
  O  O23  1  0.426  0.345  0.035  1.0
  O  O24  1  0.435  0.040  0.649  1.0
  O  O25  1  0.382  0.288  0.384  1.0
  O  O26  1  0.241  0.370  0.702  1.0
  O  O27  1  0.265  0.625  0.297  1.0
  O  O28  1  0.676  0.339  0.042  1.0
  O  O29  1  0.116  0.702  0.625  1.0
  O  O30  1  0.083  0.952  0.334  1.0
  O  O31  1  0.699  0.034  0.631  1.0
  O  O32  1  0.634  0.288  0.378  1.0
  O  O33  1  0.077  0.661  0.951  1.0
  O  O34  1  0.470  0.385  0.708  1.0
  O  O35  1  0.532  0.615  0.292  1.0
  O  O36  1  0.927  0.338  0.045  1.0
  O  O37  1  0.370  0.704  0.630  1.0
  O  O38  1  0.299  0.962  0.373  1.0
  O  O39  1  0.917  0.047  0.662  1.0
  O  O40  1  0.891  0.297  0.370  1.0
  O  O41  1  0.328  0.653  0.955  1.0
  O  O42  1  0.727  0.373  0.705  1.0
  O  O43  1  0.755  0.633  0.299  1.0
  O  O44  1  0.614  0.712  0.618  1.0
  O  O45  1  0.558  0.962  0.356  1.0
  O  O46  1  0.568  0.664  0.960  1.0
  O  O47  1  0.980  0.373  0.707  1.0
  O  O48  1  0.871  0.706  0.614  1.0
  O  O49  1  0.820  0.956  0.343  1.0
  O  O50  1  0.841  0.638  0.960  1.0
[/CIF]
.
The structure described by V16Bi3O32 crystallizes in the triclinic P1 space group. There are sixteen inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(20), one O(21), one O(22), one O(24), and one O(3) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. In the second V site, V(2) is bonded to one O(1), one O(15), one O(25), one O(3), one O(4), and one O(5) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the third V site, V(3) is bonded to one O(2), one O(27), one O(29), one O(3), one O(6), and one O(7) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the fourth V site, V(4) is bonded to one O(10), one O(23), one O(4), one O(5), one O(7), and one O(9) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the fifth V site, V(5) is bonded to one O(13), one O(14), one O(31), one O(6), one O(7), and one O(8) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. In the sixth V site, V(6) is bonded to one O(1), one O(11), one O(15), one O(16), one O(32), and one O(8) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. In the seventh V site, V(7) is bonded to one O(10), one O(14), one O(17), one O(18), one O(28), and one O(9) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 50-54°. In the eighth V site, V(8) is bonded to one O(11), one O(12), one O(17), one O(19), one O(20), and one O(21) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. In the ninth V site, V(9) is bonded to one O(12), one O(13), one O(14), one O(16), one O(21), and one O(22) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 51-56°. In the tenth V site, V(10) is bonded to one O(15), one O(16), one O(19), one O(23), one O(24), and one O(5) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 45-55°. In the eleventh V site, V(11) is bonded to one O(1), one O(17), one O(18), one O(22), one O(25), and one O(32) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. In the twelfth V site, V(12) is bonded to one O(19), one O(2), one O(20), one O(25), one O(26), and one O(27) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. In the thirteenth V site, V(13) is bonded to one O(10), one O(23), one O(24), one O(26), one O(28), and one O(29) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. In the fourteenth V site, V(14) is bonded to one O(26), one O(27), one O(30), one O(31), one O(4), and one O(6) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the fifteenth V site, V(15) is bonded to one O(18), one O(28), one O(29), one O(30), one O(32), and one O(8) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. In the sixteenth V site, V(16) is bonded to one O(11), one O(12), one O(13), one O(30), one O(31), and one O(9) atom to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted rectangular see-saw-like geometry to one O(12), one O(18), one O(28), and one O(6) atom. In the second Bi site, Bi(2) is bonded in a distorted rectangular see-saw-like geometry to one O(15), one O(21), one O(27), and one O(5) atom. In the third Bi site, Bi(3) is bonded in a rectangular see-saw-like geometry to one O(10), one O(2), one O(23), and one O(31) atom. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one V(11), one V(2), and one V(6) atom. In the second O site, O(2) is bonded to one V(1), one V(12), one V(3), and one Bi(3) atom to form distorted corner-sharing OV3Bi trigonal pyramids. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(1), one V(2), and one V(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(14), one V(2), and one V(4) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one V(10), one V(2), one V(4), and one Bi(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one V(14), one V(3), one V(5), and one Bi(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one V(3), one V(4), and one V(5) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one V(15), one V(5), and one V(6) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one V(16), one V(4), and one V(7) atom. In the tenth O site, O(10) is bonded to one V(13), one V(4), one V(7), and one Bi(3) atom to form a mixture of distorted edge and corner-sharing OV3Bi trigonal pyramids. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one V(16), one V(6), and one V(8) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one V(16), one V(8), one V(9), and one Bi(1) atom. In the thirteenth O site, O(13) is bonded in a trigonal non-coplanar geometry to one V(16), one V(5), and one V(9) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one V(5), one V(7), and one V(9) atom. In the fifteenth O site, O(15) is bonded in a distorted rectangular see-saw-like geometry to one V(10), one V(2), one V(6), and one Bi(2) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one V(10), one V(6), and one V(9) atom. In the seventeenth O site, O(17) is bonded in a trigonal planar geometry to one V(11), one V(7), and one V(8) atom. In the eighteenth O site, O(18) is bonded in a rectangular see-saw-like geometry to one V(11), one V(15), one V(7), and one Bi(1) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one V(10), one V(12), and one V(8) atom. In the twentieth O site, O(20) is bonded in a trigonal non-coplanar geometry to one V(1), one V(12), and one V(8) atom. In the twenty-first O site, O(21) is bonded to one V(1), one V(8), one V(9), and one Bi(2) atom to form distorted corner-sharing OV3Bi trigonal pyramids. In the twenty-second O site, O(22) is bonded in a distorted trigonal planar geometry to one V(1), one V(11), and one V(9) atom. In the twenty-third O site, O(23) is bonded to one V(10), one V(13), one V(4), and one Bi(3) atom to form a mixture of distorted edge and corner-sharing OV3Bi tetrahedra. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal planar geometry to one V(1), one V(10), and one V(13) atom. In the twenty-fifth O site, O(25) is bonded in a distorted trigonal planar geometry to one V(11), one V(12), and one V(2) atom. In the twenty-sixth O site, O(26) is bonded in a trigonal planar geometry to one V(12), one V(13), and one V(14) atom. In the twenty-seventh O site, O(27) is bonded in a 4-coordinate geometry to one V(12), one V(14), one V(3), and one Bi(2) atom. In the twenty-eighth O site, O(28) is bonded in a rectangular see-saw-like geometry to one V(13), one V(15), one V(7), and one Bi(1) atom. In the twenty-ninth O site, O(29) is bonded in a distorted trigonal planar geometry to one V(13), one V(15), and one V(3) atom. In the thirtieth O site, O(30) is bonded in a trigonal planar geometry to one V(14), one V(15), and one V(16) atom. In the thirty-first O site, O(31) is bonded in a distorted rectangular see-saw-like geometry to one V(14), one V(16), one V(5), and one Bi(3) atom. In the thirty-second O site, O(32) is bonded in a distorted trigonal non-coplanar geometry to one V(11), one V(15), and one V(6) atom. is represented by the CIF file [CIF]
data_V16Bi3O32
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.329
_cell_length_b   12.881
_cell_length_c   10.449
_cell_angle_alpha   52.149
_cell_angle_beta   42.725
_cell_angle_gamma   33.062
_symmetry_Int_Tables_number   1
_cell_volume   614.243
_cell_formula_units_Z   1
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
  V  V0  1  0.015  0.188  0.518  1.0
  V  V1  1  0.086  0.482  0.184  1.0
  V  V2  1  0.257  0.190  0.526  1.0
  V  V3  1  0.340  0.479  0.185  1.0
  V  V4  1  0.513  0.186  0.521  1.0
  V  V5  1  0.160  0.518  0.819  1.0
  V  V6  1  0.591  0.478  0.183  1.0
  V  V7  1  0.238  0.810  0.483  1.0
  V  V8  1  0.765  0.186  0.512  1.0
  V  V9  1  0.406  0.525  0.812  1.0
  V  V10  1  0.840  0.479  0.181  1.0
  V  V11  1  0.489  0.815  0.478  1.0
  V  V12  1  0.653  0.523  0.818  1.0
  V  V13  1  0.738  0.812  0.479  1.0
  V  V14  1  0.910  0.519  0.817  1.0
  V  V15  1  0.986  0.811  0.481  1.0
  Bi  Bi16  1  0.277  0.984  0.018  1.0
  Bi  Bi17  1  0.739  0.015  0.979  1.0
  Bi  Bi18  1  0.994  0.008  0.003  1.0
  O  O19  1  0.161  0.363  0.038  1.0
  O  O20  1  0.175  0.045  0.658  1.0
  O  O21  1  0.125  0.295  0.387  1.0
  O  O22  1  0.012  0.628  0.297  1.0
  O  O23  1  0.426  0.345  0.035  1.0
  O  O24  1  0.435  0.040  0.649  1.0
  O  O25  1  0.382  0.288  0.384  1.0
  O  O26  1  0.241  0.370  0.702  1.0
  O  O27  1  0.265  0.625  0.297  1.0
  O  O28  1  0.676  0.339  0.042  1.0
  O  O29  1  0.116  0.702  0.625  1.0
  O  O30  1  0.083  0.952  0.334  1.0
  O  O31  1  0.699  0.034  0.631  1.0
  O  O32  1  0.634  0.288  0.378  1.0
  O  O33  1  0.077  0.661  0.951  1.0
  O  O34  1  0.470  0.385  0.708  1.0
  O  O35  1  0.532  0.615  0.292  1.0
  O  O36  1  0.927  0.338  0.045  1.0
  O  O37  1  0.370  0.704  0.630  1.0
  O  O38  1  0.299  0.962  0.373  1.0
  O  O39  1  0.917  0.047  0.662  1.0
  O  O40  1  0.891  0.297  0.370  1.0
  O  O41  1  0.328  0.653  0.955  1.0
  O  O42  1  0.727  0.373  0.705  1.0
  O  O43  1  0.755  0.633  0.299  1.0
  O  O44  1  0.614  0.712  0.618  1.0
  O  O45  1  0.558  0.962  0.356  1.0
  O  O46  1  0.568  0.664  0.960  1.0
  O  O47  1  0.980  0.373  0.707  1.0
  O  O48  1  0.871  0.706  0.614  1.0
  O  O49  1  0.820  0.956  0.343  1.0
  O  O50  1  0.841  0.638  0.960  1.0
[/CIF]
.