The compound described by Sb5(TeO6)3 crystallizes in the monoclinic C2 space group. There are six inequivalent Sb sites. In the first Sb site, Sb(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 a mixture of distorted edge and corner-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles are 42°. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(15), one O(16), one O(7), and one O(8) atom. In the third Sb site, Sb(3) is bonded to one O(12), one O(13), one O(16), one O(2), one O(3), and one O(8) atom to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles are 44°. In the fourth Sb site, Sb(4) is bonded to one O(10), one O(11), one O(12), one O(16), one O(17), and one O(5) atom to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles are 47°. In the fifth Sb site, Sb(5) is bonded to two equivalent O(17), two equivalent O(18), and two equivalent O(6) atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles range from 42-47°. In the sixth Sb site, Sb(6) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(7) atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles are 44°. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(13), one O(17), and one O(9) atom. In the second Te site, Te(2) is bonded in a 4-coordinate geometry to one O(11), one O(2), one O(4), and one O(6) atom. In the third Te site, Te(3) is bonded in a distorted see-saw-like geometry to one O(14), one O(15), 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 bent 120 degrees geometry to one Sb(1) and one Te(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Sb(1), one Sb(3), and one Te(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Sb(3) and one Sb(6) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one Sb(6) and one Te(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Sb(4) and one Te(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Sb(5) and one Te(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Sb(2) and one Sb(6) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Sb(2), one Sb(3), and one Te(3) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Sb(1) and one Te(1) atom. In the tenth O site, O(10) is bonded in a trigonal non-coplanar geometry to one Sb(1), one Sb(4), and one Te(1) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Sb(2), one Sb(4), and one Te(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Sb(1), one Sb(3), and one Sb(4) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one Sb(3) and one Te(1) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Sb(2) and one Te(3) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one Sb(2) and one Te(3) atom. In the sixteenth O site, O(16) is bonded in a distorted water-like geometry to one Sb(2), one Sb(3), and one Sb(4) atom. In the seventeenth O site, O(17) is bonded in a 2-coordinate geometry to one Sb(4), one Sb(5), and one Te(1) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 150 degrees geometry to one Sb(1) and one Sb(5) atom. is represented by the CIF card [CIF]
data_Sb5(TeO6)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.930
_cell_length_b   8.930
_cell_length_c   11.962
_cell_angle_alpha   85.876
_cell_angle_beta   85.876
_cell_angle_gamma   66.590
_symmetry_Int_Tables_number   1
_cell_volume   872.162
_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
  Sb  Sb0  1  0.489  0.150  0.962  1.0
  Sb  Sb1  1  0.726  0.890  0.453  1.0
  Sb  Sb2  1  0.646  0.638  0.283  1.0
  Sb  Sb3  1  0.265  0.053  0.798  1.0
  Sb  Sb4  1  0.362  0.354  0.717  1.0
  Sb  Sb5  1  0.929  0.071  0.000  1.0
  Sb  Sb6  1  0.699  0.301  0.500  1.0
  Sb  Sb7  1  0.947  0.735  0.202  1.0
  Sb  Sb8  1  0.110  0.274  0.547  1.0
  Sb  Sb9  1  0.850  0.511  0.038  1.0
  Te  Te10  1  0.193  0.559  0.964  1.0
  Te  Te11  1  0.759  0.192  0.248  1.0
  Te  Te12  1  0.808  0.241  0.752  1.0
  Te  Te13  1  0.168  0.603  0.444  1.0
  Te  Te14  1  0.397  0.832  0.556  1.0
  Te  Te15  1  0.441  0.807  0.036  1.0
  O  O16  1  0.994  0.552  0.912  1.0
  O  O17  1  0.561  0.242  0.817  1.0
  O  O18  1  0.506  0.419  0.608  1.0
  O  O19  1  0.874  0.210  0.373  1.0
  O  O20  1  0.758  0.439  0.183  1.0
  O  O21  1  0.790  0.126  0.627  1.0
  O  O22  1  0.142  0.690  0.286  1.0
  O  O23  1  0.880  0.042  0.845  1.0
  O  O24  1  0.849  0.390  0.562  1.0
  O  O25  1  0.550  0.833  0.381  1.0
  O  O26  1  0.363  0.361  0.031  1.0
  O  O27  1  0.047  0.517  0.121  1.0
  O  O28  1  0.055  0.184  0.717  1.0
  O  O29  1  0.268  0.253  0.865  1.0
  O  O30  1  0.639  0.637  0.969  1.0
  O  O31  1  0.452  0.716  0.192  1.0
  O  O32  1  0.249  0.034  0.491  1.0
  O  O33  1  0.747  0.732  0.135  1.0
  O  O34  1  0.581  0.494  0.392  1.0
  O  O35  1  0.966  0.751  0.509  1.0
  O  O36  1  0.145  0.408  0.406  1.0
  O  O37  1  0.362  0.147  0.665  1.0
  O  O38  1  0.958  0.120  0.155  1.0
  O  O39  1  0.284  0.548  0.808  1.0
  O  O40  1  0.162  0.002  0.940  1.0
  O  O41  1  0.879  0.310  0.960  1.0
  O  O42  1  0.483  0.953  0.879  1.0
  O  O43  1  0.310  0.858  0.714  1.0
  O  O44  1  0.816  0.945  0.283  1.0
  O  O45  1  0.853  0.638  0.335  1.0
  O  O46  1  0.592  0.855  0.594  1.0
  O  O47  1  0.690  0.121  0.040  1.0
  O  O48  1  0.610  0.151  0.438  1.0
  O  O49  1  0.167  0.450  0.619  1.0
  O  O50  1  0.998  0.838  0.060  1.0
  O  O51  1  0.448  0.006  0.088  1.0
[/CIF]
.
The compound described by Sb5(TeO6)3 crystallizes in the monoclinic C2 space group. There are six inequivalent Sb sites. In the first Sb site, Sb(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 a mixture of distorted edge and corner-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles are 42°. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(15), one O(16), one O(7), and one O(8) atom. In the third Sb site, Sb(3) is bonded to one O(12), one O(13), one O(16), one O(2), one O(3), and one O(8) atom to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles are 44°. In the fourth Sb site, Sb(4) is bonded to one O(10), one O(11), one O(12), one O(16), one O(17), and one O(5) atom to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles are 47°. In the fifth Sb site, Sb(5) is bonded to two equivalent O(17), two equivalent O(18), and two equivalent O(6) atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles range from 42-47°. In the sixth Sb site, Sb(6) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(7) atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles are 44°. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(13), one O(17), and one O(9) atom. In the second Te site, Te(2) is bonded in a 4-coordinate geometry to one O(11), one O(2), one O(4), and one O(6) atom. In the third Te site, Te(3) is bonded in a distorted see-saw-like geometry to one O(14), one O(15), 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 bent 120 degrees geometry to one Sb(1) and one Te(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Sb(1), one Sb(3), and one Te(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Sb(3) and one Sb(6) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one Sb(6) and one Te(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Sb(4) and one Te(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Sb(5) and one Te(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Sb(2) and one Sb(6) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Sb(2), one Sb(3), and one Te(3) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Sb(1) and one Te(1) atom. In the tenth O site, O(10) is bonded in a trigonal non-coplanar geometry to one Sb(1), one Sb(4), and one Te(1) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Sb(2), one Sb(4), and one Te(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Sb(1), one Sb(3), and one Sb(4) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one Sb(3) and one Te(1) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Sb(2) and one Te(3) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one Sb(2) and one Te(3) atom. In the sixteenth O site, O(16) is bonded in a distorted water-like geometry to one Sb(2), one Sb(3), and one Sb(4) atom. In the seventeenth O site, O(17) is bonded in a 2-coordinate geometry to one Sb(4), one Sb(5), and one Te(1) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 150 degrees geometry to one Sb(1) and one Sb(5) atom. is represented by the CIF card [CIF]
data_Sb5(TeO6)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.930
_cell_length_b   8.930
_cell_length_c   11.962
_cell_angle_alpha   85.876
_cell_angle_beta   85.876
_cell_angle_gamma   66.590
_symmetry_Int_Tables_number   1
_cell_volume   872.162
_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
  Sb  Sb0  1  0.489  0.150  0.962  1.0
  Sb  Sb1  1  0.726  0.890  0.453  1.0
  Sb  Sb2  1  0.646  0.638  0.283  1.0
  Sb  Sb3  1  0.265  0.053  0.798  1.0
  Sb  Sb4  1  0.362  0.354  0.717  1.0
  Sb  Sb5  1  0.929  0.071  0.000  1.0
  Sb  Sb6  1  0.699  0.301  0.500  1.0
  Sb  Sb7  1  0.947  0.735  0.202  1.0
  Sb  Sb8  1  0.110  0.274  0.547  1.0
  Sb  Sb9  1  0.850  0.511  0.038  1.0
  Te  Te10  1  0.193  0.559  0.964  1.0
  Te  Te11  1  0.759  0.192  0.248  1.0
  Te  Te12  1  0.808  0.241  0.752  1.0
  Te  Te13  1  0.168  0.603  0.444  1.0
  Te  Te14  1  0.397  0.832  0.556  1.0
  Te  Te15  1  0.441  0.807  0.036  1.0
  O  O16  1  0.994  0.552  0.912  1.0
  O  O17  1  0.561  0.242  0.817  1.0
  O  O18  1  0.506  0.419  0.608  1.0
  O  O19  1  0.874  0.210  0.373  1.0
  O  O20  1  0.758  0.439  0.183  1.0
  O  O21  1  0.790  0.126  0.627  1.0
  O  O22  1  0.142  0.690  0.286  1.0
  O  O23  1  0.880  0.042  0.845  1.0
  O  O24  1  0.849  0.390  0.562  1.0
  O  O25  1  0.550  0.833  0.381  1.0
  O  O26  1  0.363  0.361  0.031  1.0
  O  O27  1  0.047  0.517  0.121  1.0
  O  O28  1  0.055  0.184  0.717  1.0
  O  O29  1  0.268  0.253  0.865  1.0
  O  O30  1  0.639  0.637  0.969  1.0
  O  O31  1  0.452  0.716  0.192  1.0
  O  O32  1  0.249  0.034  0.491  1.0
  O  O33  1  0.747  0.732  0.135  1.0
  O  O34  1  0.581  0.494  0.392  1.0
  O  O35  1  0.966  0.751  0.509  1.0
  O  O36  1  0.145  0.408  0.406  1.0
  O  O37  1  0.362  0.147  0.665  1.0
  O  O38  1  0.958  0.120  0.155  1.0
  O  O39  1  0.284  0.548  0.808  1.0
  O  O40  1  0.162  0.002  0.940  1.0
  O  O41  1  0.879  0.310  0.960  1.0
  O  O42  1  0.483  0.953  0.879  1.0
  O  O43  1  0.310  0.858  0.714  1.0
  O  O44  1  0.816  0.945  0.283  1.0
  O  O45  1  0.853  0.638  0.335  1.0
  O  O46  1  0.592  0.855  0.594  1.0
  O  O47  1  0.690  0.121  0.040  1.0
  O  O48  1  0.610  0.151  0.438  1.0
  O  O49  1  0.167  0.450  0.619  1.0
  O  O50  1  0.998  0.838  0.060  1.0
  O  O51  1  0.448  0.006  0.088  1.0
[/CIF]
.