The material structure described by TbTaO4 crystallizes in the monoclinic P2/c space group. Tb(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Ta(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Tb(1) and one Ta(1) atom. In the second O site, O(1) is bonded to two equivalent Tb(1) and two equivalent Ta(1) atoms to form a mixture of distorted corner and edge-sharing OTb2Ta2 tetrahedra. is represented by the CIF file [CIF]
data_TbTaO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.133
_cell_length_b   5.323
_cell_length_c   5.463
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   96.521
_symmetry_Int_Tables_number   1
_cell_volume   148.317
_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
  Tb  Tb0  1  0.000  0.750  0.765  1.0
  Tb  Tb1  1  0.000  0.250  0.235  1.0
  Ta  Ta2  1  0.500  0.250  0.695  1.0
  Ta  Ta3  1  0.500  0.750  0.305  1.0
  O  O4  1  0.732  0.009  0.562  1.0
  O  O5  1  0.268  0.491  0.562  1.0
  O  O6  1  0.268  0.991  0.438  1.0
  O  O7  1  0.732  0.509  0.438  1.0
  O  O8  1  0.252  0.600  0.083  1.0
  O  O9  1  0.748  0.900  0.083  1.0
  O  O10  1  0.748  0.400  0.917  1.0
  O  O11  1  0.252  0.100  0.917  1.0
[/CIF]
.
The material structure described by TbTaO4 crystallizes in the monoclinic P2/c space group. Tb(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Ta(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Tb(1) and one Ta(1) atom. In the second O site, O(1) is bonded to two equivalent Tb(1) and two equivalent Ta(1) atoms to form a mixture of distorted corner and edge-sharing OTb2Ta2 tetrahedra. is represented by the CIF file [CIF]
data_TbTaO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.133
_cell_length_b   5.323
_cell_length_c   5.463
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   96.521
_symmetry_Int_Tables_number   1
_cell_volume   148.317
_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
  Tb  Tb0  1  0.000  0.750  0.765  1.0
  Tb  Tb1  1  0.000  0.250  0.235  1.0
  Ta  Ta2  1  0.500  0.250  0.695  1.0
  Ta  Ta3  1  0.500  0.750  0.305  1.0
  O  O4  1  0.732  0.009  0.562  1.0
  O  O5  1  0.268  0.491  0.562  1.0
  O  O6  1  0.268  0.991  0.438  1.0
  O  O7  1  0.732  0.509  0.438  1.0
  O  O8  1  0.252  0.600  0.083  1.0
  O  O9  1  0.748  0.900  0.083  1.0
  O  O10  1  0.748  0.400  0.917  1.0
  O  O11  1  0.252  0.100  0.917  1.0
[/CIF]
.