The material structure described by AlTiTaO6 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 Al(1)O6 octahedra,  an edgeedge with one Ta(1)O6 octahedra, and  an edgeedge with one Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. 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 Al(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and  an edgeedge with one Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. Al(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form AlO6 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 47-49°. 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 Al(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 Al(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 Al(1) atom. is represented by the CIF card [CIF]
data_TaTiAlO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.627
_cell_length_b   4.627
_cell_length_c   8.934
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   191.258
_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  0.498  1.0
  Ti  Ti3  1  0.000  0.000  0.998  1.0
  Al  Al4  1  0.500  0.500  0.167  1.0
  Al  Al5  1  0.000  0.000  0.667  1.0
  O  O6  1  0.201  0.799  0.166  1.0
  O  O7  1  0.195  0.805  0.505  1.0
  O  O8  1  0.191  0.809  0.830  1.0
  O  O9  1  0.799  0.201  0.166  1.0
  O  O10  1  0.805  0.195  0.505  1.0
  O  O11  1  0.809  0.191  0.830  1.0
  O  O12  1  0.309  0.309  0.330  1.0
  O  O13  1  0.299  0.299  0.666  1.0
  O  O14  1  0.305  0.305  0.005  1.0
  O  O15  1  0.691  0.691  0.330  1.0
  O  O16  1  0.701  0.701  0.666  1.0
  O  O17  1  0.695  0.695  0.005  1.0
[/CIF]
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The material structure described by AlTiTaO6 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 Al(1)O6 octahedra,  an edgeedge with one Ta(1)O6 octahedra, and  an edgeedge with one Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. 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 Al(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and  an edgeedge with one Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. Al(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form AlO6 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 47-49°. 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 Al(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 Al(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 Al(1) atom. is represented by the CIF card [CIF]
data_TaTiAlO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.627
_cell_length_b   4.627
_cell_length_c   8.934
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   191.258
_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  0.498  1.0
  Ti  Ti3  1  0.000  0.000  0.998  1.0
  Al  Al4  1  0.500  0.500  0.167  1.0
  Al  Al5  1  0.000  0.000  0.667  1.0
  O  O6  1  0.201  0.799  0.166  1.0
  O  O7  1  0.195  0.805  0.505  1.0
  O  O8  1  0.191  0.809  0.830  1.0
  O  O9  1  0.799  0.201  0.166  1.0
  O  O10  1  0.805  0.195  0.505  1.0
  O  O11  1  0.809  0.191  0.830  1.0
  O  O12  1  0.309  0.309  0.330  1.0
  O  O13  1  0.299  0.299  0.666  1.0
  O  O14  1  0.305  0.305  0.005  1.0
  O  O15  1  0.691  0.691  0.330  1.0
  O  O16  1  0.701  0.701  0.666  1.0
  O  O17  1  0.695  0.695  0.005  1.0
[/CIF]
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