The crystal structure described by TbTaO4 crystallizes in the monoclinic P2_1/c space group. Tb(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), three equivalent O(3), and three equivalent O(4) atoms. Ta(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 38-48°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Tb(1) and two equivalent Ta(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Tb(1) and two equivalent Ta(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to three equivalent Tb(1) and one Ta(1) atom. In the fourth O site, O(4) is bonded to three equivalent Tb(1) and one Ta(1) atom to form a mixture of distorted edge and corner-sharing OTb3Ta tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TbTaO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.327
_cell_length_b   7.520
_cell_length_c   7.561
_cell_angle_alpha   81.664
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   299.694
_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
  Tb  Tb0  1  0.278  0.645  0.609  1.0
  Tb  Tb1  1  0.222  0.645  0.109  1.0
  Tb  Tb2  1  0.778  0.355  0.891  1.0
  Tb  Tb3  1  0.722  0.355  0.391  1.0
  Ta  Ta4  1  0.771  0.836  0.813  1.0
  Ta  Ta5  1  0.729  0.836  0.313  1.0
  Ta  Ta6  1  0.271  0.164  0.687  1.0
  Ta  Ta7  1  0.229  0.164  0.187  1.0
  O  O8  1  0.098  0.934  0.691  1.0
  O  O9  1  0.402  0.934  0.191  1.0
  O  O10  1  0.629  0.832  0.563  1.0
  O  O11  1  0.871  0.832  0.063  1.0
  O  O12  1  0.501  0.672  0.880  1.0
  O  O13  1  0.989  0.612  0.830  1.0
  O  O14  1  0.999  0.672  0.380  1.0
  O  O15  1  0.511  0.612  0.330  1.0
  O  O16  1  0.489  0.388  0.670  1.0
  O  O17  1  0.001  0.328  0.620  1.0
  O  O18  1  0.011  0.388  0.170  1.0
  O  O19  1  0.499  0.328  0.120  1.0
  O  O20  1  0.129  0.168  0.937  1.0
  O  O21  1  0.371  0.168  0.437  1.0
  O  O22  1  0.598  0.066  0.809  1.0
  O  O23  1  0.902  0.066  0.309  1.0
[/CIF]
.
The crystal structure described by TbTaO4 crystallizes in the monoclinic P2_1/c space group. Tb(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), three equivalent O(3), and three equivalent O(4) atoms. Ta(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 38-48°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Tb(1) and two equivalent Ta(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Tb(1) and two equivalent Ta(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to three equivalent Tb(1) and one Ta(1) atom. In the fourth O site, O(4) is bonded to three equivalent Tb(1) and one Ta(1) atom to form a mixture of distorted edge and corner-sharing OTb3Ta tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TbTaO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.327
_cell_length_b   7.520
_cell_length_c   7.561
_cell_angle_alpha   81.664
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   299.694
_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
  Tb  Tb0  1  0.278  0.645  0.609  1.0
  Tb  Tb1  1  0.222  0.645  0.109  1.0
  Tb  Tb2  1  0.778  0.355  0.891  1.0
  Tb  Tb3  1  0.722  0.355  0.391  1.0
  Ta  Ta4  1  0.771  0.836  0.813  1.0
  Ta  Ta5  1  0.729  0.836  0.313  1.0
  Ta  Ta6  1  0.271  0.164  0.687  1.0
  Ta  Ta7  1  0.229  0.164  0.187  1.0
  O  O8  1  0.098  0.934  0.691  1.0
  O  O9  1  0.402  0.934  0.191  1.0
  O  O10  1  0.629  0.832  0.563  1.0
  O  O11  1  0.871  0.832  0.063  1.0
  O  O12  1  0.501  0.672  0.880  1.0
  O  O13  1  0.989  0.612  0.830  1.0
  O  O14  1  0.999  0.672  0.380  1.0
  O  O15  1  0.511  0.612  0.330  1.0
  O  O16  1  0.489  0.388  0.670  1.0
  O  O17  1  0.001  0.328  0.620  1.0
  O  O18  1  0.011  0.388  0.170  1.0
  O  O19  1  0.499  0.328  0.120  1.0
  O  O20  1  0.129  0.168  0.937  1.0
  O  O21  1  0.371  0.168  0.437  1.0
  O  O22  1  0.598  0.066  0.809  1.0
  O  O23  1  0.902  0.066  0.309  1.0
[/CIF]
.