The material structure described by YTa3O9 crystallizes in the triclinic P1 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(1), one O(13), one O(14), one O(17), one O(3), one O(4), one O(5), one O(6), one O(8), one O(9), and two equivalent O(10) atoms to form distorted YO12 cuboctahedra that share  a cornercorner with one Y(2)O12 cuboctahedra, corners with two equivalent Y(1)O12 cuboctahedra, faces with two equivalent Y(2)O12 cuboctahedra,  a faceface with one Ta(1)O6 octahedra,  a faceface with one Ta(2)O6 octahedra,  a faceface with one Ta(3)O6 octahedra,  a faceface with one Ta(4)O6 octahedra, faces with two equivalent Ta(5)O6 octahedra, and faces with two equivalent Ta(6)O6 octahedra. In the second Y site, Y(2) is bonded to one O(10), one O(14), one O(15), one O(16), one O(17), one O(18), one O(3), one O(6), one O(7), one O(9), and two equivalent O(4) atoms to form distorted YO12 cuboctahedra that share  a cornercorner with one Y(1)O12 cuboctahedra, corners with two equivalent Y(2)O12 cuboctahedra, faces with two equivalent Y(1)O12 cuboctahedra,  a faceface with one Ta(2)O6 octahedra,  a faceface with one Ta(4)O6 octahedra,  a faceface with one Ta(5)O6 octahedra,  a faceface with one Ta(6)O6 octahedra, faces with two equivalent Ta(1)O6 octahedra, and faces with two equivalent Ta(3)O6 octahedra. There are six inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one O(14), one O(15), one O(2), one O(4), one O(7), and one O(9) atom to form TaO6 octahedra that share  a cornercorner with one Ta(3)O6 octahedra,  a cornercorner with one Ta(6)O6 octahedra, corners with two equivalent Ta(4)O6 octahedra, corners with two equivalent Ta(5)O6 octahedra,  a faceface with one Y(1)O12 cuboctahedra, and faces with two equivalent Y(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-19°. In the second Ta site, Ta(2) is bonded to one O(12), one O(13), one O(16), one O(18), one O(3), and one O(8) atom to form TaO6 octahedra that share  a cornercorner with one Ta(4)O6 octahedra,  a cornercorner with one Ta(5)O6 octahedra, corners with two equivalent Ta(3)O6 octahedra, corners with two equivalent Ta(6)O6 octahedra,  a faceface with one Y(1)O12 cuboctahedra, and  a faceface with one Y(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-15°. In the third Ta site, Ta(3) is bonded to one O(11), one O(16), one O(17), one O(18), one O(4), and one O(6) atom to form distorted TaO6 octahedra that share  a cornercorner with one Ta(1)O6 octahedra,  a cornercorner with one Ta(4)O6 octahedra, corners with two equivalent Ta(2)O6 octahedra, corners with two equivalent Ta(6)O6 octahedra,  a faceface with one Y(1)O12 cuboctahedra, and faces with two equivalent Y(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 3-19°. In the fourth Ta site, Ta(4) is bonded to one O(1), one O(11), one O(15), one O(3), one O(5), and one O(7) atom to form TaO6 octahedra that share  a cornercorner with one Ta(2)O6 octahedra,  a cornercorner with one Ta(3)O6 octahedra, corners with two equivalent Ta(1)O6 octahedra, corners with two equivalent Ta(5)O6 octahedra,  a faceface with one Y(1)O12 cuboctahedra, and  a faceface with one Y(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-15°. In the fifth Ta site, Ta(5) is bonded to one O(1), one O(10), one O(12), one O(14), one O(5), and one O(9) atom to form distorted TaO6 octahedra that share  a cornercorner with one Ta(2)O6 octahedra,  a cornercorner with one Ta(6)O6 octahedra, corners with two equivalent Ta(1)O6 octahedra, corners with two equivalent Ta(4)O6 octahedra,  a faceface with one Y(2)O12 cuboctahedra, and faces with two equivalent Y(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 3-19°. In the sixth Ta site, Ta(6) is bonded to one O(10), one O(13), one O(17), one O(2), one O(6), and one O(8) atom to form TaO6 octahedra that share  a cornercorner with one Ta(1)O6 octahedra,  a cornercorner with one Ta(5)O6 octahedra, corners with two equivalent Ta(2)O6 octahedra, corners with two equivalent Ta(3)O6 octahedra,  a faceface with one Y(2)O12 cuboctahedra, and faces with two equivalent Y(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-19°. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Y(1), one Ta(4), and one Ta(5) atom. In the second O site, O(2) is bonded in a linear geometry to one Ta(1) and one Ta(6) atom. In the third O site, O(3) is bonded in a linear geometry to one Y(1), one Y(2), one Ta(2), and one Ta(4) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Y(1), two equivalent Y(2), one Ta(1), and one Ta(3) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Y(1), one Ta(4), and one Ta(5) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Y(1), one Y(2), one Ta(3), and one Ta(6) atom. In the seventh O site, O(7) is bonded in a distorted linear geometry to one Y(2), one Ta(1), and one Ta(4) atom. In the eighth O site, O(8) is bonded in a distorted linear geometry to one Y(1), one Ta(2), and one Ta(6) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Y(1), one Y(2), one Ta(1), and one Ta(5) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Y(2), two equivalent Y(1), one Ta(5), and one Ta(6) atom. In the eleventh O site, O(11) is bonded in a linear geometry to one Ta(3) and one Ta(4) atom. In the twelfth O site, O(12) is bonded in a linear geometry to one Ta(2) and one Ta(5) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to one Y(1), one Ta(2), and one Ta(6) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Y(1), one Y(2), one Ta(1), and one Ta(5) atom. In the fifteenth O site, O(15) is bonded in a distorted T-shaped geometry to one Y(2), one Ta(1), and one Ta(4) atom. In the sixteenth O site, O(16) is bonded in a 2-coordinate geometry to one Y(2), one Ta(2), and one Ta(3) atom. In the seventeenth O site, O(17) is bonded in a distorted rectangular see-saw-like geometry to one Y(1), one Y(2), one Ta(3), and one Ta(6) atom. In the eighteenth O site, O(18) is bonded in a distorted T-shaped geometry to one Y(2), one Ta(2), and one Ta(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_YTa3O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.562
_cell_length_b   8.824
_cell_length_c   8.861
_cell_angle_alpha   66.507
_cell_angle_beta   71.713
_cell_angle_gamma   71.651
_symmetry_Int_Tables_number   1
_cell_volume   369.590
_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
  Y  Y0  1  0.684  0.641  0.999  1.0
  Y  Y1  1  0.336  0.357  0.003  1.0
  Ta  Ta2  1  0.925  0.410  0.742  1.0
  Ta  Ta3  1  0.418  0.919  0.247  1.0
  Ta  Ta4  1  0.751  0.237  0.267  1.0
  Ta  Ta5  1  0.580  0.081  0.755  1.0
  Ta  Ta6  1  0.250  0.764  0.735  1.0
  Ta  Ta7  1  0.076  0.592  0.257  1.0
  O  O8  1  0.420  0.901  0.773  1.0
  O  O9  1  0.999  0.501  0.500  1.0
  O  O10  1  0.498  0.003  0.001  1.0
  O  O11  1  0.810  0.356  0.001  1.0
  O  O12  1  0.901  0.899  0.772  1.0
  O  O13  1  0.423  0.425  0.222  1.0
  O  O14  1  0.243  0.248  0.772  1.0
  O  O15  1  0.272  0.749  0.228  1.0
  O  O16  1  0.075  0.571  0.781  1.0
  O  O17  1  0.175  0.644  1.000  1.0
  O  O18  1  0.665  0.166  0.506  1.0
  O  O19  1  0.333  0.833  0.497  1.0
  O  O20  1  0.750  0.749  0.227  1.0
  O  O21  1  0.573  0.576  0.779  1.0
  O  O22  1  0.720  0.255  0.772  1.0
  O  O23  1  0.096  0.101  0.229  1.0
  O  O24  1  0.922  0.427  0.219  1.0
  O  O25  1  0.576  0.099  0.232  1.0
[/CIF]
.
The material structure described by YTa3O9 crystallizes in the triclinic P1 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(1), one O(13), one O(14), one O(17), one O(3), one O(4), one O(5), one O(6), one O(8), one O(9), and two equivalent O(10) atoms to form distorted YO12 cuboctahedra that share  a cornercorner with one Y(2)O12 cuboctahedra, corners with two equivalent Y(1)O12 cuboctahedra, faces with two equivalent Y(2)O12 cuboctahedra,  a faceface with one Ta(1)O6 octahedra,  a faceface with one Ta(2)O6 octahedra,  a faceface with one Ta(3)O6 octahedra,  a faceface with one Ta(4)O6 octahedra, faces with two equivalent Ta(5)O6 octahedra, and faces with two equivalent Ta(6)O6 octahedra. In the second Y site, Y(2) is bonded to one O(10), one O(14), one O(15), one O(16), one O(17), one O(18), one O(3), one O(6), one O(7), one O(9), and two equivalent O(4) atoms to form distorted YO12 cuboctahedra that share  a cornercorner with one Y(1)O12 cuboctahedra, corners with two equivalent Y(2)O12 cuboctahedra, faces with two equivalent Y(1)O12 cuboctahedra,  a faceface with one Ta(2)O6 octahedra,  a faceface with one Ta(4)O6 octahedra,  a faceface with one Ta(5)O6 octahedra,  a faceface with one Ta(6)O6 octahedra, faces with two equivalent Ta(1)O6 octahedra, and faces with two equivalent Ta(3)O6 octahedra. There are six inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one O(14), one O(15), one O(2), one O(4), one O(7), and one O(9) atom to form TaO6 octahedra that share  a cornercorner with one Ta(3)O6 octahedra,  a cornercorner with one Ta(6)O6 octahedra, corners with two equivalent Ta(4)O6 octahedra, corners with two equivalent Ta(5)O6 octahedra,  a faceface with one Y(1)O12 cuboctahedra, and faces with two equivalent Y(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-19°. In the second Ta site, Ta(2) is bonded to one O(12), one O(13), one O(16), one O(18), one O(3), and one O(8) atom to form TaO6 octahedra that share  a cornercorner with one Ta(4)O6 octahedra,  a cornercorner with one Ta(5)O6 octahedra, corners with two equivalent Ta(3)O6 octahedra, corners with two equivalent Ta(6)O6 octahedra,  a faceface with one Y(1)O12 cuboctahedra, and  a faceface with one Y(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-15°. In the third Ta site, Ta(3) is bonded to one O(11), one O(16), one O(17), one O(18), one O(4), and one O(6) atom to form distorted TaO6 octahedra that share  a cornercorner with one Ta(1)O6 octahedra,  a cornercorner with one Ta(4)O6 octahedra, corners with two equivalent Ta(2)O6 octahedra, corners with two equivalent Ta(6)O6 octahedra,  a faceface with one Y(1)O12 cuboctahedra, and faces with two equivalent Y(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 3-19°. In the fourth Ta site, Ta(4) is bonded to one O(1), one O(11), one O(15), one O(3), one O(5), and one O(7) atom to form TaO6 octahedra that share  a cornercorner with one Ta(2)O6 octahedra,  a cornercorner with one Ta(3)O6 octahedra, corners with two equivalent Ta(1)O6 octahedra, corners with two equivalent Ta(5)O6 octahedra,  a faceface with one Y(1)O12 cuboctahedra, and  a faceface with one Y(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-15°. In the fifth Ta site, Ta(5) is bonded to one O(1), one O(10), one O(12), one O(14), one O(5), and one O(9) atom to form distorted TaO6 octahedra that share  a cornercorner with one Ta(2)O6 octahedra,  a cornercorner with one Ta(6)O6 octahedra, corners with two equivalent Ta(1)O6 octahedra, corners with two equivalent Ta(4)O6 octahedra,  a faceface with one Y(2)O12 cuboctahedra, and faces with two equivalent Y(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 3-19°. In the sixth Ta site, Ta(6) is bonded to one O(10), one O(13), one O(17), one O(2), one O(6), and one O(8) atom to form TaO6 octahedra that share  a cornercorner with one Ta(1)O6 octahedra,  a cornercorner with one Ta(5)O6 octahedra, corners with two equivalent Ta(2)O6 octahedra, corners with two equivalent Ta(3)O6 octahedra,  a faceface with one Y(2)O12 cuboctahedra, and faces with two equivalent Y(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-19°. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Y(1), one Ta(4), and one Ta(5) atom. In the second O site, O(2) is bonded in a linear geometry to one Ta(1) and one Ta(6) atom. In the third O site, O(3) is bonded in a linear geometry to one Y(1), one Y(2), one Ta(2), and one Ta(4) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Y(1), two equivalent Y(2), one Ta(1), and one Ta(3) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Y(1), one Ta(4), and one Ta(5) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Y(1), one Y(2), one Ta(3), and one Ta(6) atom. In the seventh O site, O(7) is bonded in a distorted linear geometry to one Y(2), one Ta(1), and one Ta(4) atom. In the eighth O site, O(8) is bonded in a distorted linear geometry to one Y(1), one Ta(2), and one Ta(6) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Y(1), one Y(2), one Ta(1), and one Ta(5) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Y(2), two equivalent Y(1), one Ta(5), and one Ta(6) atom. In the eleventh O site, O(11) is bonded in a linear geometry to one Ta(3) and one Ta(4) atom. In the twelfth O site, O(12) is bonded in a linear geometry to one Ta(2) and one Ta(5) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to one Y(1), one Ta(2), and one Ta(6) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Y(1), one Y(2), one Ta(1), and one Ta(5) atom. In the fifteenth O site, O(15) is bonded in a distorted T-shaped geometry to one Y(2), one Ta(1), and one Ta(4) atom. In the sixteenth O site, O(16) is bonded in a 2-coordinate geometry to one Y(2), one Ta(2), and one Ta(3) atom. In the seventeenth O site, O(17) is bonded in a distorted rectangular see-saw-like geometry to one Y(1), one Y(2), one Ta(3), and one Ta(6) atom. In the eighteenth O site, O(18) is bonded in a distorted T-shaped geometry to one Y(2), one Ta(2), and one Ta(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_YTa3O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.562
_cell_length_b   8.824
_cell_length_c   8.861
_cell_angle_alpha   66.507
_cell_angle_beta   71.713
_cell_angle_gamma   71.651
_symmetry_Int_Tables_number   1
_cell_volume   369.590
_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
  Y  Y0  1  0.684  0.641  0.999  1.0
  Y  Y1  1  0.336  0.357  0.003  1.0
  Ta  Ta2  1  0.925  0.410  0.742  1.0
  Ta  Ta3  1  0.418  0.919  0.247  1.0
  Ta  Ta4  1  0.751  0.237  0.267  1.0
  Ta  Ta5  1  0.580  0.081  0.755  1.0
  Ta  Ta6  1  0.250  0.764  0.735  1.0
  Ta  Ta7  1  0.076  0.592  0.257  1.0
  O  O8  1  0.420  0.901  0.773  1.0
  O  O9  1  0.999  0.501  0.500  1.0
  O  O10  1  0.498  0.003  0.001  1.0
  O  O11  1  0.810  0.356  0.001  1.0
  O  O12  1  0.901  0.899  0.772  1.0
  O  O13  1  0.423  0.425  0.222  1.0
  O  O14  1  0.243  0.248  0.772  1.0
  O  O15  1  0.272  0.749  0.228  1.0
  O  O16  1  0.075  0.571  0.781  1.0
  O  O17  1  0.175  0.644  1.000  1.0
  O  O18  1  0.665  0.166  0.506  1.0
  O  O19  1  0.333  0.833  0.497  1.0
  O  O20  1  0.750  0.749  0.227  1.0
  O  O21  1  0.573  0.576  0.779  1.0
  O  O22  1  0.720  0.255  0.772  1.0
  O  O23  1  0.096  0.101  0.229  1.0
  O  O24  1  0.922  0.427  0.219  1.0
  O  O25  1  0.576  0.099  0.232  1.0
[/CIF]
.