The material structure described by YTa3O9 crystallizes in the orthorhombic Pnma space group. Y(1) is bonded in a 9-coordinate geometry to one O(2), one O(4), one O(5), two equivalent O(3), and four equivalent O(6) atoms. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra, corners with two equivalent Ta(2)O7 pentagonal bipyramids, and edges with two equivalent Ta(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 34°. In the second Ta site, Ta(2) is bonded to one O(4), one O(5), one O(6), two equivalent O(1), and two equivalent O(3) atoms to form distorted TaO7 pentagonal bipyramids that share  a cornercorner with one Ta(1)O6 octahedra, corners with two equivalent Ta(2)O7 pentagonal bipyramids,  an edgeedge with one Ta(1)O6 octahedra, and edges with two equivalent Ta(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 38°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Ta(1) and two equivalent Ta(2) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Y(1) and two equivalent Ta(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Y(1) and two equivalent Ta(2) atoms. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Y(1) and two equivalent Ta(2) atoms. In the fifth O site, O(5) is bonded in a distorted linear geometry to one Y(1) and two equivalent Ta(2) atoms. In the sixth O site, O(6) is bonded to two equivalent Y(1), one Ta(1), and one Ta(2) atom to form a mixture of distorted corner and edge-sharing OY2Ta2 tetrahedra. is represented by the CIF card [CIF]
data_YTa3O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.480
_cell_length_b   7.656
_cell_length_c   12.616
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   625.899
_cell_formula_units_Z   4
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  0.058  0.250  0.464  1.0
  Y  Y1  1  0.442  0.750  0.964  1.0
  Y  Y2  1  0.558  0.250  0.036  1.0
  Y  Y3  1  0.942  0.750  0.536  1.0
  Ta  Ta4  1  0.000  0.000  0.000  1.0
  Ta  Ta5  1  0.000  0.500  0.000  1.0
  Ta  Ta6  1  0.203  0.003  0.713  1.0
  Ta  Ta7  1  0.203  0.497  0.713  1.0
  Ta  Ta8  1  0.297  0.503  0.213  1.0
  Ta  Ta9  1  0.297  0.997  0.213  1.0
  Ta  Ta10  1  0.500  0.000  0.500  1.0
  Ta  Ta11  1  0.500  0.500  0.500  1.0
  Ta  Ta12  1  0.703  0.003  0.787  1.0
  Ta  Ta13  1  0.703  0.497  0.787  1.0
  Ta  Ta14  1  0.797  0.503  0.287  1.0
  Ta  Ta15  1  0.797  0.997  0.287  1.0
  O  O16  1  0.014  0.043  0.843  1.0
  O  O17  1  0.014  0.457  0.843  1.0
  O  O18  1  0.074  0.750  0.973  1.0
  O  O19  1  0.106  0.036  0.332  1.0
  O  O20  1  0.106  0.464  0.332  1.0
  O  O21  1  0.162  0.250  0.671  1.0
  O  O22  1  0.200  0.750  0.694  1.0
  O  O23  1  0.205  0.531  0.536  1.0
  O  O24  1  0.205  0.969  0.536  1.0
  O  O25  1  0.295  0.031  0.036  1.0
  O  O26  1  0.295  0.469  0.036  1.0
  O  O27  1  0.300  0.250  0.194  1.0
  O  O28  1  0.338  0.750  0.171  1.0
  O  O29  1  0.394  0.536  0.832  1.0
  O  O30  1  0.394  0.964  0.832  1.0
  O  O31  1  0.426  0.250  0.473  1.0
  O  O32  1  0.486  0.543  0.343  1.0
  O  O33  1  0.486  0.957  0.343  1.0
  O  O34  1  0.514  0.043  0.657  1.0
  O  O35  1  0.514  0.457  0.657  1.0
  O  O36  1  0.574  0.750  0.527  1.0
  O  O37  1  0.606  0.036  0.168  1.0
  O  O38  1  0.606  0.464  0.168  1.0
  O  O39  1  0.662  0.250  0.829  1.0
  O  O40  1  0.700  0.750  0.806  1.0
  O  O41  1  0.705  0.531  0.964  1.0
  O  O42  1  0.705  0.969  0.964  1.0
  O  O43  1  0.795  0.031  0.464  1.0
  O  O44  1  0.795  0.469  0.464  1.0
  O  O45  1  0.800  0.250  0.306  1.0
  O  O46  1  0.838  0.750  0.329  1.0
  O  O47  1  0.894  0.536  0.668  1.0
  O  O48  1  0.894  0.964  0.668  1.0
  O  O49  1  0.926  0.250  0.027  1.0
  O  O50  1  0.986  0.543  0.157  1.0
  O  O51  1  0.986  0.957  0.157  1.0
[/CIF]
.
The material structure described by YTa3O9 crystallizes in the orthorhombic Pnma space group. Y(1) is bonded in a 9-coordinate geometry to one O(2), one O(4), one O(5), two equivalent O(3), and four equivalent O(6) atoms. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra, corners with two equivalent Ta(2)O7 pentagonal bipyramids, and edges with two equivalent Ta(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 34°. In the second Ta site, Ta(2) is bonded to one O(4), one O(5), one O(6), two equivalent O(1), and two equivalent O(3) atoms to form distorted TaO7 pentagonal bipyramids that share  a cornercorner with one Ta(1)O6 octahedra, corners with two equivalent Ta(2)O7 pentagonal bipyramids,  an edgeedge with one Ta(1)O6 octahedra, and edges with two equivalent Ta(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 38°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Ta(1) and two equivalent Ta(2) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Y(1) and two equivalent Ta(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Y(1) and two equivalent Ta(2) atoms. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Y(1) and two equivalent Ta(2) atoms. In the fifth O site, O(5) is bonded in a distorted linear geometry to one Y(1) and two equivalent Ta(2) atoms. In the sixth O site, O(6) is bonded to two equivalent Y(1), one Ta(1), and one Ta(2) atom to form a mixture of distorted corner and edge-sharing OY2Ta2 tetrahedra. is represented by the CIF card [CIF]
data_YTa3O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.480
_cell_length_b   7.656
_cell_length_c   12.616
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   625.899
_cell_formula_units_Z   4
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  0.058  0.250  0.464  1.0
  Y  Y1  1  0.442  0.750  0.964  1.0
  Y  Y2  1  0.558  0.250  0.036  1.0
  Y  Y3  1  0.942  0.750  0.536  1.0
  Ta  Ta4  1  0.000  0.000  0.000  1.0
  Ta  Ta5  1  0.000  0.500  0.000  1.0
  Ta  Ta6  1  0.203  0.003  0.713  1.0
  Ta  Ta7  1  0.203  0.497  0.713  1.0
  Ta  Ta8  1  0.297  0.503  0.213  1.0
  Ta  Ta9  1  0.297  0.997  0.213  1.0
  Ta  Ta10  1  0.500  0.000  0.500  1.0
  Ta  Ta11  1  0.500  0.500  0.500  1.0
  Ta  Ta12  1  0.703  0.003  0.787  1.0
  Ta  Ta13  1  0.703  0.497  0.787  1.0
  Ta  Ta14  1  0.797  0.503  0.287  1.0
  Ta  Ta15  1  0.797  0.997  0.287  1.0
  O  O16  1  0.014  0.043  0.843  1.0
  O  O17  1  0.014  0.457  0.843  1.0
  O  O18  1  0.074  0.750  0.973  1.0
  O  O19  1  0.106  0.036  0.332  1.0
  O  O20  1  0.106  0.464  0.332  1.0
  O  O21  1  0.162  0.250  0.671  1.0
  O  O22  1  0.200  0.750  0.694  1.0
  O  O23  1  0.205  0.531  0.536  1.0
  O  O24  1  0.205  0.969  0.536  1.0
  O  O25  1  0.295  0.031  0.036  1.0
  O  O26  1  0.295  0.469  0.036  1.0
  O  O27  1  0.300  0.250  0.194  1.0
  O  O28  1  0.338  0.750  0.171  1.0
  O  O29  1  0.394  0.536  0.832  1.0
  O  O30  1  0.394  0.964  0.832  1.0
  O  O31  1  0.426  0.250  0.473  1.0
  O  O32  1  0.486  0.543  0.343  1.0
  O  O33  1  0.486  0.957  0.343  1.0
  O  O34  1  0.514  0.043  0.657  1.0
  O  O35  1  0.514  0.457  0.657  1.0
  O  O36  1  0.574  0.750  0.527  1.0
  O  O37  1  0.606  0.036  0.168  1.0
  O  O38  1  0.606  0.464  0.168  1.0
  O  O39  1  0.662  0.250  0.829  1.0
  O  O40  1  0.700  0.750  0.806  1.0
  O  O41  1  0.705  0.531  0.964  1.0
  O  O42  1  0.705  0.969  0.964  1.0
  O  O43  1  0.795  0.031  0.464  1.0
  O  O44  1  0.795  0.469  0.464  1.0
  O  O45  1  0.800  0.250  0.306  1.0
  O  O46  1  0.838  0.750  0.329  1.0
  O  O47  1  0.894  0.536  0.668  1.0
  O  O48  1  0.894  0.964  0.668  1.0
  O  O49  1  0.926  0.250  0.027  1.0
  O  O50  1  0.986  0.543  0.157  1.0
  O  O51  1  0.986  0.957  0.157  1.0
[/CIF]
.