The material structure described by Ti5Sb5O17 crystallizes in the monoclinic Pc space group. There are five inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one O(6), one O(7), one O(8), one O(9), and two equivalent O(14) atoms. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(8), one O(9), and two equivalent O(15) atoms. In the third Ti site, Ti(3) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(2), one O(3), and two equivalent O(16) atoms. In the fourth Ti site, Ti(4) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and two equivalent O(17) atoms. In the fifth Ti site, Ti(5) is bonded in a 6-coordinate geometry to one O(12), one O(13), one O(4), one O(5), and two equivalent O(1) atoms. There are five inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted trigonal pyramidal geometry to one O(12), one O(13), one O(6), and one O(7) atom. In the second Sb site, Sb(2) is bonded in a 3-coordinate geometry to one O(10), one O(14), one O(8), and one O(9) atom. In the third Sb site, Sb(3) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(15), one O(16), and one O(3) atom. In the fourth Sb site, Sb(4) is bonded in a 4-coordinate geometry to one O(12), one O(13), one O(6), and one O(7) atom. In the fifth Sb site, Sb(5) is bonded in a 5-coordinate geometry to one O(1), one O(17), one O(2), one O(4), and one O(5) atom. There are seventeen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ti(5) and one Sb(5) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Ti(3), one Ti(4), and one Sb(5) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Ti(3), one Ti(4), and one Sb(3) atom. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Ti(4), one Ti(5), and one Sb(5) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ti(4), one Ti(5), and one Sb(5) atom. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one Ti(1), one Sb(1), and one Sb(4) atom. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to one Ti(1), one Sb(1), and one Sb(4) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(2), and one Sb(2) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(2), and one Sb(2) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Ti(2), one Ti(3), one Sb(2), and one Sb(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ti(2), one Ti(3), and one Sb(3) atom. In the twelfth O site, O(12) is bonded in a trigonal non-coplanar geometry to one Ti(5), one Sb(1), and one Sb(4) atom. In the thirteenth O site, O(13) is bonded in a trigonal non-coplanar geometry to one Ti(5), one Sb(1), and one Sb(4) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to two equivalent Ti(1) and one Sb(2) atom. In the fifteenth O site, O(15) is bonded in a distorted single-bond geometry to two equivalent Ti(2) and one Sb(3) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to two equivalent Ti(3) and one Sb(3) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to two equivalent Ti(4) and one Sb(5) atom. is represented by the CIF card [CIF]
data_Ti5Sb5O17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.486
_cell_length_b   4.232
_cell_length_c   31.937
_cell_angle_alpha   84.219
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   737.751
_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
  Ti  Ti0  1  0.251  0.910  0.619  1.0
  Ti  Ti1  1  0.766  0.821  0.708  1.0
  Ti  Ti2  1  0.253  0.739  0.796  1.0
  Ti  Ti3  1  0.774  0.547  0.884  1.0
  Ti  Ti4  1  0.300  0.467  0.968  1.0
  Ti  Ti5  1  0.749  0.910  0.119  1.0
  Ti  Ti6  1  0.234  0.821  0.208  1.0
  Ti  Ti7  1  0.747  0.739  0.296  1.0
  Ti  Ti8  1  0.226  0.547  0.384  1.0
  Ti  Ti9  1  0.700  0.467  0.468  1.0
  Sb  Sb10  1  0.214  0.866  0.517  1.0
  Sb  Sb11  1  0.786  0.866  0.017  1.0
  Sb  Sb12  1  0.277  0.415  0.692  1.0
  Sb  Sb13  1  0.703  0.316  0.788  1.0
  Sb  Sb14  1  0.720  0.521  0.569  1.0
  Sb  Sb15  1  0.210  0.986  0.893  1.0
  Sb  Sb16  1  0.723  0.415  0.192  1.0
  Sb  Sb17  1  0.297  0.316  0.288  1.0
  Sb  Sb18  1  0.280  0.521  0.069  1.0
  Sb  Sb19  1  0.790  0.986  0.393  1.0
  O  O20  1  0.282  0.052  0.963  1.0
  O  O21  1  0.088  0.671  0.847  1.0
  O  O22  1  0.590  0.611  0.832  1.0
  O  O23  1  0.041  0.609  0.927  1.0
  O  O24  1  0.522  0.590  0.921  1.0
  O  O25  1  0.718  0.052  0.463  1.0
  O  O26  1  0.009  0.869  0.574  1.0
  O  O27  1  0.472  0.899  0.570  1.0
  O  O28  1  0.030  0.768  0.669  1.0
  O  O29  1  0.505  0.769  0.666  1.0
  O  O30  1  0.508  0.658  0.751  1.0
  O  O31  1  0.987  0.688  0.759  1.0
  O  O32  1  0.912  0.671  0.347  1.0
  O  O33  1  0.410  0.611  0.332  1.0
  O  O34  1  0.959  0.609  0.427  1.0
  O  O35  1  0.478  0.590  0.421  1.0
  O  O36  1  0.936  0.510  0.516  1.0
  O  O37  1  0.468  0.493  0.515  1.0
  O  O38  1  0.260  0.336  0.628  1.0
  O  O39  1  0.753  0.238  0.711  1.0
  O  O40  1  0.318  0.161  0.795  1.0
  O  O41  1  0.837  0.120  0.885  1.0
  O  O42  1  0.528  0.899  0.070  1.0
  O  O43  1  0.991  0.869  0.074  1.0
  O  O44  1  0.495  0.769  0.166  1.0
  O  O45  1  0.970  0.768  0.169  1.0
  O  O46  1  0.013  0.688  0.259  1.0
  O  O47  1  0.492  0.658  0.251  1.0
  O  O48  1  0.532  0.493  0.015  1.0
  O  O49  1  0.064  0.510  0.016  1.0
  O  O50  1  0.740  0.336  0.128  1.0
  O  O51  1  0.247  0.238  0.211  1.0
  O  O52  1  0.682  0.161  0.295  1.0
  O  O53  1  0.163  0.120  0.385  1.0
[/CIF]
.
The material structure described by Ti5Sb5O17 crystallizes in the monoclinic Pc space group. There are five inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one O(6), one O(7), one O(8), one O(9), and two equivalent O(14) atoms. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(8), one O(9), and two equivalent O(15) atoms. In the third Ti site, Ti(3) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(2), one O(3), and two equivalent O(16) atoms. In the fourth Ti site, Ti(4) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and two equivalent O(17) atoms. In the fifth Ti site, Ti(5) is bonded in a 6-coordinate geometry to one O(12), one O(13), one O(4), one O(5), and two equivalent O(1) atoms. There are five inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted trigonal pyramidal geometry to one O(12), one O(13), one O(6), and one O(7) atom. In the second Sb site, Sb(2) is bonded in a 3-coordinate geometry to one O(10), one O(14), one O(8), and one O(9) atom. In the third Sb site, Sb(3) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(15), one O(16), and one O(3) atom. In the fourth Sb site, Sb(4) is bonded in a 4-coordinate geometry to one O(12), one O(13), one O(6), and one O(7) atom. In the fifth Sb site, Sb(5) is bonded in a 5-coordinate geometry to one O(1), one O(17), one O(2), one O(4), and one O(5) atom. There are seventeen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ti(5) and one Sb(5) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Ti(3), one Ti(4), and one Sb(5) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Ti(3), one Ti(4), and one Sb(3) atom. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Ti(4), one Ti(5), and one Sb(5) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ti(4), one Ti(5), and one Sb(5) atom. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one Ti(1), one Sb(1), and one Sb(4) atom. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to one Ti(1), one Sb(1), and one Sb(4) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(2), and one Sb(2) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(2), and one Sb(2) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Ti(2), one Ti(3), one Sb(2), and one Sb(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ti(2), one Ti(3), and one Sb(3) atom. In the twelfth O site, O(12) is bonded in a trigonal non-coplanar geometry to one Ti(5), one Sb(1), and one Sb(4) atom. In the thirteenth O site, O(13) is bonded in a trigonal non-coplanar geometry to one Ti(5), one Sb(1), and one Sb(4) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to two equivalent Ti(1) and one Sb(2) atom. In the fifteenth O site, O(15) is bonded in a distorted single-bond geometry to two equivalent Ti(2) and one Sb(3) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to two equivalent Ti(3) and one Sb(3) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to two equivalent Ti(4) and one Sb(5) atom. is represented by the CIF card [CIF]
data_Ti5Sb5O17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.486
_cell_length_b   4.232
_cell_length_c   31.937
_cell_angle_alpha   84.219
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   737.751
_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
  Ti  Ti0  1  0.251  0.910  0.619  1.0
  Ti  Ti1  1  0.766  0.821  0.708  1.0
  Ti  Ti2  1  0.253  0.739  0.796  1.0
  Ti  Ti3  1  0.774  0.547  0.884  1.0
  Ti  Ti4  1  0.300  0.467  0.968  1.0
  Ti  Ti5  1  0.749  0.910  0.119  1.0
  Ti  Ti6  1  0.234  0.821  0.208  1.0
  Ti  Ti7  1  0.747  0.739  0.296  1.0
  Ti  Ti8  1  0.226  0.547  0.384  1.0
  Ti  Ti9  1  0.700  0.467  0.468  1.0
  Sb  Sb10  1  0.214  0.866  0.517  1.0
  Sb  Sb11  1  0.786  0.866  0.017  1.0
  Sb  Sb12  1  0.277  0.415  0.692  1.0
  Sb  Sb13  1  0.703  0.316  0.788  1.0
  Sb  Sb14  1  0.720  0.521  0.569  1.0
  Sb  Sb15  1  0.210  0.986  0.893  1.0
  Sb  Sb16  1  0.723  0.415  0.192  1.0
  Sb  Sb17  1  0.297  0.316  0.288  1.0
  Sb  Sb18  1  0.280  0.521  0.069  1.0
  Sb  Sb19  1  0.790  0.986  0.393  1.0
  O  O20  1  0.282  0.052  0.963  1.0
  O  O21  1  0.088  0.671  0.847  1.0
  O  O22  1  0.590  0.611  0.832  1.0
  O  O23  1  0.041  0.609  0.927  1.0
  O  O24  1  0.522  0.590  0.921  1.0
  O  O25  1  0.718  0.052  0.463  1.0
  O  O26  1  0.009  0.869  0.574  1.0
  O  O27  1  0.472  0.899  0.570  1.0
  O  O28  1  0.030  0.768  0.669  1.0
  O  O29  1  0.505  0.769  0.666  1.0
  O  O30  1  0.508  0.658  0.751  1.0
  O  O31  1  0.987  0.688  0.759  1.0
  O  O32  1  0.912  0.671  0.347  1.0
  O  O33  1  0.410  0.611  0.332  1.0
  O  O34  1  0.959  0.609  0.427  1.0
  O  O35  1  0.478  0.590  0.421  1.0
  O  O36  1  0.936  0.510  0.516  1.0
  O  O37  1  0.468  0.493  0.515  1.0
  O  O38  1  0.260  0.336  0.628  1.0
  O  O39  1  0.753  0.238  0.711  1.0
  O  O40  1  0.318  0.161  0.795  1.0
  O  O41  1  0.837  0.120  0.885  1.0
  O  O42  1  0.528  0.899  0.070  1.0
  O  O43  1  0.991  0.869  0.074  1.0
  O  O44  1  0.495  0.769  0.166  1.0
  O  O45  1  0.970  0.768  0.169  1.0
  O  O46  1  0.013  0.688  0.259  1.0
  O  O47  1  0.492  0.658  0.251  1.0
  O  O48  1  0.532  0.493  0.015  1.0
  O  O49  1  0.064  0.510  0.016  1.0
  O  O50  1  0.740  0.336  0.128  1.0
  O  O51  1  0.247  0.238  0.211  1.0
  O  O52  1  0.682  0.161  0.295  1.0
  O  O53  1  0.163  0.120  0.385  1.0
[/CIF]
.