The material structure described by GaTiTaO6 is Rutile-derived structured and crystallizes in the tetragonal P4_2nm space group. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent Ga(1)O6 octahedra,  an edgeedge with one Ta(1)O6 octahedra, and  an edgeedge with one Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. Ta(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TaO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra, corners with four equivalent Ga(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and  an edgeedge with one Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. Ga(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form GaO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra, corners with four equivalent Ta(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and  an edgeedge with one Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ta(1), and one Ga(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ta(1), and one Ga(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ta(1), and one Ga(1) atom. is represented by the CIF file [CIF]
data_TaTiGaO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.678
_cell_length_b   4.678
_cell_length_c   9.081
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   198.751
_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
  Ta  Ta0  1  0.500  0.500  0.833  1.0
  Ta  Ta1  1  0.000  0.000  0.333  1.0
  Ti  Ti2  1  0.500  0.500  0.499  1.0
  Ti  Ti3  1  0.000  0.000  0.999  1.0
  Ga  Ga4  1  0.500  0.500  0.167  1.0
  Ga  Ga5  1  0.000  0.000  0.667  1.0
  O  O6  1  0.195  0.805  0.166  1.0
  O  O7  1  0.199  0.801  0.499  1.0
  O  O8  1  0.195  0.805  0.835  1.0
  O  O9  1  0.805  0.195  0.166  1.0
  O  O10  1  0.801  0.199  0.499  1.0
  O  O11  1  0.805  0.195  0.835  1.0
  O  O12  1  0.301  0.301  0.999  1.0
  O  O13  1  0.305  0.305  0.335  1.0
  O  O14  1  0.305  0.305  0.666  1.0
  O  O15  1  0.699  0.699  0.999  1.0
  O  O16  1  0.695  0.695  0.335  1.0
  O  O17  1  0.695  0.695  0.666  1.0
[/CIF]
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The material structure described by GaTiTaO6 is Rutile-derived structured and crystallizes in the tetragonal P4_2nm space group. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent Ga(1)O6 octahedra,  an edgeedge with one Ta(1)O6 octahedra, and  an edgeedge with one Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. Ta(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TaO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra, corners with four equivalent Ga(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and  an edgeedge with one Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. Ga(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form GaO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra, corners with four equivalent Ta(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and  an edgeedge with one Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ta(1), and one Ga(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ta(1), and one Ga(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ta(1), and one Ga(1) atom. is represented by the CIF file [CIF]
data_TaTiGaO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.678
_cell_length_b   4.678
_cell_length_c   9.081
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   198.751
_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
  Ta  Ta0  1  0.500  0.500  0.833  1.0
  Ta  Ta1  1  0.000  0.000  0.333  1.0
  Ti  Ti2  1  0.500  0.500  0.499  1.0
  Ti  Ti3  1  0.000  0.000  0.999  1.0
  Ga  Ga4  1  0.500  0.500  0.167  1.0
  Ga  Ga5  1  0.000  0.000  0.667  1.0
  O  O6  1  0.195  0.805  0.166  1.0
  O  O7  1  0.199  0.801  0.499  1.0
  O  O8  1  0.195  0.805  0.835  1.0
  O  O9  1  0.805  0.195  0.166  1.0
  O  O10  1  0.801  0.199  0.499  1.0
  O  O11  1  0.805  0.195  0.835  1.0
  O  O12  1  0.301  0.301  0.999  1.0
  O  O13  1  0.305  0.305  0.335  1.0
  O  O14  1  0.305  0.305  0.666  1.0
  O  O15  1  0.699  0.699  0.999  1.0
  O  O16  1  0.695  0.695  0.335  1.0
  O  O17  1  0.695  0.695  0.666  1.0
[/CIF]
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