The compound described by Bi5(TeO6)3 crystallizes in the monoclinic C2 space group. There are six inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), one O(10), one O(12), one O(18), one O(2), and one O(9) atom to form BiO6 octahedra that share corners with two equivalent Te(2)O6 octahedra and edges with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-44°. In the second Bi site, Bi(2) is bonded in a 5-coordinate geometry to one O(14), one O(15), one O(16), one O(4), and one O(8) atom. In the third Bi site, Bi(3) is bonded in a 7-coordinate geometry to one O(12), one O(13), one O(16), one O(2), one O(3), one O(7), and one O(8) atom. In the fourth Bi site, Bi(4) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(16), one O(17), one O(5), and one O(6) atom. In the fifth Bi site, Bi(5) is bonded in a 6-coordinate geometry to two equivalent O(17), two equivalent O(18), and two equivalent O(6) atoms. In the sixth Bi site, Bi(6) is bonded in a 6-coordinate geometry to two equivalent O(3), two equivalent O(4), and two equivalent O(7) atoms. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(1), one O(10), one O(12), one O(13), one O(17), and one O(9) atom to form TeO6 octahedra that share edges with two equivalent Bi(1)O6 octahedra. In the second Te site, Te(2) is bonded to one O(11), one O(18), one O(2), one O(4), one O(6), and one O(7) atom to form TeO6 octahedra that share corners with two equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-44°. In the third Te site, Te(3) is bonded in an octahedral geometry to one O(14), one O(15), one O(16), one O(3), one O(5), and one O(8) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Bi(1) and one Te(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Bi(1), one Bi(3), and one Te(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Bi(3), one Bi(6), and one Te(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Bi(2), one Bi(6), and one Te(2) atom. In the fifth O site, O(5) is bonded in a water-like geometry to one Bi(4) and one Te(3) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Bi(4), one Bi(5), and one Te(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Bi(3), one Bi(6), and one Te(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Bi(2), one Bi(3), and one Te(3) atom. In the ninth O site, O(9) is bonded in a water-like geometry to one Bi(1) and one Te(1) atom. In the tenth O site, O(10) is bonded in a water-like geometry to one Bi(1) and one Te(1) atom. In the eleventh O site, O(11) is bonded in a distorted water-like geometry to one Bi(4) and one Te(2) atom. In the twelfth O site, O(12) is bonded to one Bi(1), one Bi(3), one Bi(4), and one Te(1) atom to form distorted edge-sharing OBi3Te trigonal pyramids. In the thirteenth O site, O(13) is bonded in a water-like geometry to one Bi(3) and one Te(1) atom. In the fourteenth O site, O(14) is bonded in a water-like geometry to one Bi(2) and one Te(3) atom. In the fifteenth O site, O(15) is bonded in a water-like geometry to one Bi(2) and one Te(3) atom. In the sixteenth O site, O(16) is bonded to one Bi(2), one Bi(3), one Bi(4), and one Te(3) atom to form distorted edge-sharing OBi3Te tetrahedra. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Bi(4), one Bi(5), and one Te(1) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Bi(1), one Bi(5), and one Te(2) atom. is represented by the CIF card [CIF]
data_Bi5(TeO6)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.281
_cell_length_b   9.281
_cell_length_c   11.730
_cell_angle_alpha   83.378
_cell_angle_beta   83.378
_cell_angle_gamma   59.813
_symmetry_Int_Tables_number   1
_cell_volume   865.614
_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  0.495  0.830  0.995  1.0
  Bi  Bi1  1  0.213  0.116  0.523  1.0
  Bi  Bi2  1  0.366  0.366  0.284  1.0
  Bi  Bi3  1  0.786  0.961  0.768  1.0
  Bi  Bi4  1  0.634  0.634  0.716  1.0
  Bi  Bi5  1  0.978  0.022  0.000  1.0
  Bi  Bi6  1  0.384  0.616  0.500  1.0
  Bi  Bi7  1  0.039  0.214  0.232  1.0
  Bi  Bi8  1  0.884  0.787  0.477  1.0
  Bi  Bi9  1  0.170  0.505  0.005  1.0
  Te  Te10  1  0.849  0.487  0.958  1.0
  Te  Te11  1  0.202  0.790  0.243  1.0
  Te  Te12  1  0.210  0.798  0.757  1.0
  Te  Te13  1  0.860  0.460  0.448  1.0
  Te  Te14  1  0.540  0.140  0.552  1.0
  Te  Te15  1  0.513  0.151  0.042  1.0
  O  O16  1  0.066  0.435  0.881  1.0
  O  O17  1  0.397  0.785  0.846  1.0
  O  O18  1  0.641  0.541  0.530  1.0
  O  O19  1  0.131  0.686  0.379  1.0
  O  O20  1  0.215  0.603  0.154  1.0
  O  O21  1  0.314  0.869  0.621  1.0
  O  O22  1  0.804  0.375  0.330  1.0
  O  O23  1  0.048  0.018  0.800  1.0
  O  O24  1  0.386  0.581  0.711  1.0
  O  O25  1  0.449  0.085  0.427  1.0
  O  O26  1  0.632  0.575  0.050  1.0
  O  O27  1  0.930  0.554  0.083  1.0
  O  O28  1  0.044  0.803  0.664  1.0
  O  O29  1  0.731  0.725  0.876  1.0
  O  O30  1  0.425  0.368  0.950  1.0
  O  O31  1  0.583  0.214  0.165  1.0
  O  O32  1  0.741  0.062  0.446  1.0
  O  O33  1  0.275  0.269  0.124  1.0
  O  O34  1  0.459  0.359  0.470  1.0
  O  O35  1  0.938  0.259  0.554  1.0
  O  O36  1  0.804  0.674  0.365  1.0
  O  O37  1  0.662  0.900  0.628  1.0
  O  O38  1  0.982  0.952  0.200  1.0
  O  O39  1  0.786  0.417  0.835  1.0
  O  O40  1  0.727  0.081  0.956  1.0
  O  O41  1  0.114  0.734  0.905  1.0
  O  O42  1  0.446  0.070  0.917  1.0
  O  O43  1  0.625  0.196  0.670  1.0
  O  O44  1  0.197  0.956  0.336  1.0
  O  O45  1  0.100  0.338  0.372  1.0
  O  O46  1  0.326  0.196  0.635  1.0
  O  O47  1  0.266  0.886  0.095  1.0
  O  O48  1  0.419  0.614  0.289  1.0
  O  O49  1  0.915  0.551  0.573  1.0
  O  O50  1  0.919  0.273  0.044  1.0
  O  O51  1  0.565  0.934  0.119  1.0
[/CIF]
.
The compound described by Bi5(TeO6)3 crystallizes in the monoclinic C2 space group. There are six inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), one O(10), one O(12), one O(18), one O(2), and one O(9) atom to form BiO6 octahedra that share corners with two equivalent Te(2)O6 octahedra and edges with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-44°. In the second Bi site, Bi(2) is bonded in a 5-coordinate geometry to one O(14), one O(15), one O(16), one O(4), and one O(8) atom. In the third Bi site, Bi(3) is bonded in a 7-coordinate geometry to one O(12), one O(13), one O(16), one O(2), one O(3), one O(7), and one O(8) atom. In the fourth Bi site, Bi(4) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(16), one O(17), one O(5), and one O(6) atom. In the fifth Bi site, Bi(5) is bonded in a 6-coordinate geometry to two equivalent O(17), two equivalent O(18), and two equivalent O(6) atoms. In the sixth Bi site, Bi(6) is bonded in a 6-coordinate geometry to two equivalent O(3), two equivalent O(4), and two equivalent O(7) atoms. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(1), one O(10), one O(12), one O(13), one O(17), and one O(9) atom to form TeO6 octahedra that share edges with two equivalent Bi(1)O6 octahedra. In the second Te site, Te(2) is bonded to one O(11), one O(18), one O(2), one O(4), one O(6), and one O(7) atom to form TeO6 octahedra that share corners with two equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-44°. In the third Te site, Te(3) is bonded in an octahedral geometry to one O(14), one O(15), one O(16), one O(3), one O(5), and one O(8) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Bi(1) and one Te(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Bi(1), one Bi(3), and one Te(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Bi(3), one Bi(6), and one Te(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Bi(2), one Bi(6), and one Te(2) atom. In the fifth O site, O(5) is bonded in a water-like geometry to one Bi(4) and one Te(3) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Bi(4), one Bi(5), and one Te(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Bi(3), one Bi(6), and one Te(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Bi(2), one Bi(3), and one Te(3) atom. In the ninth O site, O(9) is bonded in a water-like geometry to one Bi(1) and one Te(1) atom. In the tenth O site, O(10) is bonded in a water-like geometry to one Bi(1) and one Te(1) atom. In the eleventh O site, O(11) is bonded in a distorted water-like geometry to one Bi(4) and one Te(2) atom. In the twelfth O site, O(12) is bonded to one Bi(1), one Bi(3), one Bi(4), and one Te(1) atom to form distorted edge-sharing OBi3Te trigonal pyramids. In the thirteenth O site, O(13) is bonded in a water-like geometry to one Bi(3) and one Te(1) atom. In the fourteenth O site, O(14) is bonded in a water-like geometry to one Bi(2) and one Te(3) atom. In the fifteenth O site, O(15) is bonded in a water-like geometry to one Bi(2) and one Te(3) atom. In the sixteenth O site, O(16) is bonded to one Bi(2), one Bi(3), one Bi(4), and one Te(3) atom to form distorted edge-sharing OBi3Te tetrahedra. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Bi(4), one Bi(5), and one Te(1) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Bi(1), one Bi(5), and one Te(2) atom. is represented by the CIF card [CIF]
data_Bi5(TeO6)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.281
_cell_length_b   9.281
_cell_length_c   11.730
_cell_angle_alpha   83.378
_cell_angle_beta   83.378
_cell_angle_gamma   59.813
_symmetry_Int_Tables_number   1
_cell_volume   865.614
_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  0.495  0.830  0.995  1.0
  Bi  Bi1  1  0.213  0.116  0.523  1.0
  Bi  Bi2  1  0.366  0.366  0.284  1.0
  Bi  Bi3  1  0.786  0.961  0.768  1.0
  Bi  Bi4  1  0.634  0.634  0.716  1.0
  Bi  Bi5  1  0.978  0.022  0.000  1.0
  Bi  Bi6  1  0.384  0.616  0.500  1.0
  Bi  Bi7  1  0.039  0.214  0.232  1.0
  Bi  Bi8  1  0.884  0.787  0.477  1.0
  Bi  Bi9  1  0.170  0.505  0.005  1.0
  Te  Te10  1  0.849  0.487  0.958  1.0
  Te  Te11  1  0.202  0.790  0.243  1.0
  Te  Te12  1  0.210  0.798  0.757  1.0
  Te  Te13  1  0.860  0.460  0.448  1.0
  Te  Te14  1  0.540  0.140  0.552  1.0
  Te  Te15  1  0.513  0.151  0.042  1.0
  O  O16  1  0.066  0.435  0.881  1.0
  O  O17  1  0.397  0.785  0.846  1.0
  O  O18  1  0.641  0.541  0.530  1.0
  O  O19  1  0.131  0.686  0.379  1.0
  O  O20  1  0.215  0.603  0.154  1.0
  O  O21  1  0.314  0.869  0.621  1.0
  O  O22  1  0.804  0.375  0.330  1.0
  O  O23  1  0.048  0.018  0.800  1.0
  O  O24  1  0.386  0.581  0.711  1.0
  O  O25  1  0.449  0.085  0.427  1.0
  O  O26  1  0.632  0.575  0.050  1.0
  O  O27  1  0.930  0.554  0.083  1.0
  O  O28  1  0.044  0.803  0.664  1.0
  O  O29  1  0.731  0.725  0.876  1.0
  O  O30  1  0.425  0.368  0.950  1.0
  O  O31  1  0.583  0.214  0.165  1.0
  O  O32  1  0.741  0.062  0.446  1.0
  O  O33  1  0.275  0.269  0.124  1.0
  O  O34  1  0.459  0.359  0.470  1.0
  O  O35  1  0.938  0.259  0.554  1.0
  O  O36  1  0.804  0.674  0.365  1.0
  O  O37  1  0.662  0.900  0.628  1.0
  O  O38  1  0.982  0.952  0.200  1.0
  O  O39  1  0.786  0.417  0.835  1.0
  O  O40  1  0.727  0.081  0.956  1.0
  O  O41  1  0.114  0.734  0.905  1.0
  O  O42  1  0.446  0.070  0.917  1.0
  O  O43  1  0.625  0.196  0.670  1.0
  O  O44  1  0.197  0.956  0.336  1.0
  O  O45  1  0.100  0.338  0.372  1.0
  O  O46  1  0.326  0.196  0.635  1.0
  O  O47  1  0.266  0.886  0.095  1.0
  O  O48  1  0.419  0.614  0.289  1.0
  O  O49  1  0.915  0.551  0.573  1.0
  O  O50  1  0.919  0.273  0.044  1.0
  O  O51  1  0.565  0.934  0.119  1.0
[/CIF]
.