The structure described by TbTiTaO6 crystallizes in the orthorhombic Pna2_1 space group. Tb(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), one O(5), one O(6), two equivalent O(1), and two equivalent O(2) atoms. Ti(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TiO6 octahedra that share corners with four equivalent Ta(1)O6 octahedra and  an edgeedge with one Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-50°. Ta(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TaO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra and  an edgeedge with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-50°. There are six inequivalent O sites. In the first O site, O(6) is bonded in a distorted T-shaped geometry to one Tb(1), one Ti(1), and one Ta(1) atom. In the second O site, O(1) is bonded to two equivalent Tb(1), one Ti(1), and one Ta(1) atom to form a mixture of distorted edge and corner-sharing OTb2TaTi trigonal pyramids. In the third O site, O(2) is bonded to two equivalent Tb(1), one Ti(1), and one Ta(1) atom to form a mixture of distorted edge and corner-sharing OTb2TaTi trigonal pyramids. In the fourth O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Tb(1), one Ti(1), and one Ta(1) atom. In the fifth O site, O(4) is bonded in a distorted trigonal planar geometry to one Tb(1), one Ti(1), and one Ta(1) atom. In the sixth O site, O(5) is bonded in a distorted trigonal planar geometry to one Tb(1), one Ti(1), and one Ta(1) atom. is represented by the CIF card [CIF]
data_TbTaTiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.251
_cell_length_b   7.453
_cell_length_c   11.090
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   434.007
_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  0.455  0.748  0.956  1.0
  Tb  Tb1  1  0.045  0.748  0.456  1.0
  Tb  Tb2  1  0.545  0.248  0.044  1.0
  Tb  Tb3  1  0.955  0.248  0.544  1.0
  Ta  Ta4  1  0.460  0.507  0.644  1.0
  Ta  Ta5  1  0.540  0.007  0.356  1.0
  Ta  Ta6  1  0.960  0.007  0.856  1.0
  Ta  Ta7  1  0.040  0.507  0.144  1.0
  Ti  Ti8  1  0.037  0.992  0.142  1.0
  Ti  Ti9  1  0.963  0.492  0.858  1.0
  Ti  Ti10  1  0.537  0.492  0.358  1.0
  Ti  Ti11  1  0.463  0.992  0.642  1.0
  O  O12  1  0.241  0.042  0.973  1.0
  O  O13  1  0.263  0.458  0.474  1.0
  O  O14  1  0.759  0.542  0.027  1.0
  O  O15  1  0.737  0.958  0.526  1.0
  O  O16  1  0.763  0.958  0.026  1.0
  O  O17  1  0.741  0.542  0.527  1.0
  O  O18  1  0.237  0.458  0.974  1.0
  O  O19  1  0.259  0.042  0.473  1.0
  O  O20  1  0.175  0.752  0.118  1.0
  O  O21  1  0.325  0.752  0.618  1.0
  O  O22  1  0.825  0.252  0.882  1.0
  O  O23  1  0.675  0.252  0.382  1.0
  O  O24  1  0.621  0.567  0.792  1.0
  O  O25  1  0.884  0.934  0.290  1.0
  O  O26  1  0.379  0.067  0.208  1.0
  O  O27  1  0.116  0.434  0.710  1.0
  O  O28  1  0.384  0.434  0.210  1.0
  O  O29  1  0.121  0.067  0.708  1.0
  O  O30  1  0.616  0.934  0.790  1.0
  O  O31  1  0.879  0.567  0.292  1.0
  O  O32  1  0.061  0.749  0.856  1.0
  O  O33  1  0.439  0.749  0.356  1.0
  O  O34  1  0.939  0.249  0.144  1.0
  O  O35  1  0.561  0.249  0.644  1.0
[/CIF]
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The structure described by TbTiTaO6 crystallizes in the orthorhombic Pna2_1 space group. Tb(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), one O(5), one O(6), two equivalent O(1), and two equivalent O(2) atoms. Ti(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TiO6 octahedra that share corners with four equivalent Ta(1)O6 octahedra and  an edgeedge with one Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-50°. Ta(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TaO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra and  an edgeedge with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-50°. There are six inequivalent O sites. In the first O site, O(6) is bonded in a distorted T-shaped geometry to one Tb(1), one Ti(1), and one Ta(1) atom. In the second O site, O(1) is bonded to two equivalent Tb(1), one Ti(1), and one Ta(1) atom to form a mixture of distorted edge and corner-sharing OTb2TaTi trigonal pyramids. In the third O site, O(2) is bonded to two equivalent Tb(1), one Ti(1), and one Ta(1) atom to form a mixture of distorted edge and corner-sharing OTb2TaTi trigonal pyramids. In the fourth O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Tb(1), one Ti(1), and one Ta(1) atom. In the fifth O site, O(4) is bonded in a distorted trigonal planar geometry to one Tb(1), one Ti(1), and one Ta(1) atom. In the sixth O site, O(5) is bonded in a distorted trigonal planar geometry to one Tb(1), one Ti(1), and one Ta(1) atom. is represented by the CIF card [CIF]
data_TbTaTiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.251
_cell_length_b   7.453
_cell_length_c   11.090
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   434.007
_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  0.455  0.748  0.956  1.0
  Tb  Tb1  1  0.045  0.748  0.456  1.0
  Tb  Tb2  1  0.545  0.248  0.044  1.0
  Tb  Tb3  1  0.955  0.248  0.544  1.0
  Ta  Ta4  1  0.460  0.507  0.644  1.0
  Ta  Ta5  1  0.540  0.007  0.356  1.0
  Ta  Ta6  1  0.960  0.007  0.856  1.0
  Ta  Ta7  1  0.040  0.507  0.144  1.0
  Ti  Ti8  1  0.037  0.992  0.142  1.0
  Ti  Ti9  1  0.963  0.492  0.858  1.0
  Ti  Ti10  1  0.537  0.492  0.358  1.0
  Ti  Ti11  1  0.463  0.992  0.642  1.0
  O  O12  1  0.241  0.042  0.973  1.0
  O  O13  1  0.263  0.458  0.474  1.0
  O  O14  1  0.759  0.542  0.027  1.0
  O  O15  1  0.737  0.958  0.526  1.0
  O  O16  1  0.763  0.958  0.026  1.0
  O  O17  1  0.741  0.542  0.527  1.0
  O  O18  1  0.237  0.458  0.974  1.0
  O  O19  1  0.259  0.042  0.473  1.0
  O  O20  1  0.175  0.752  0.118  1.0
  O  O21  1  0.325  0.752  0.618  1.0
  O  O22  1  0.825  0.252  0.882  1.0
  O  O23  1  0.675  0.252  0.382  1.0
  O  O24  1  0.621  0.567  0.792  1.0
  O  O25  1  0.884  0.934  0.290  1.0
  O  O26  1  0.379  0.067  0.208  1.0
  O  O27  1  0.116  0.434  0.710  1.0
  O  O28  1  0.384  0.434  0.210  1.0
  O  O29  1  0.121  0.067  0.708  1.0
  O  O30  1  0.616  0.934  0.790  1.0
  O  O31  1  0.879  0.567  0.292  1.0
  O  O32  1  0.061  0.749  0.856  1.0
  O  O33  1  0.439  0.749  0.356  1.0
  O  O34  1  0.939  0.249  0.144  1.0
  O  O35  1  0.561  0.249  0.644  1.0
[/CIF]
.