The compound described by LaTaTiO6 crystallizes in the monoclinic C2 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. In the second La site, La(2) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(6) 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 edges with three equivalent Ta(1)O6 octahedra. 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 edges with three equivalent Ti(1)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one La(1), one Ti(1), and one Ta(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one La(2), one Ti(1), and one Ta(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one La(1), one La(2), one Ti(1), and one Ta(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one La(1), one La(2), one Ti(1), and one Ta(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one La(1), one Ti(1), and one Ta(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one La(2), one Ti(1), and one Ta(1) atom. is represented by the CIF file [CIF]
data_LaTaTiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.202
_cell_length_b   7.202
_cell_length_c   5.308
_cell_angle_alpha   70.686
_cell_angle_beta   70.686
_cell_angle_gamma   76.469
_symmetry_Int_Tables_number   1
_cell_volume   242.801
_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
  La  La0  1  0.195  0.805  0.500  1.0
  La  La1  1  0.805  0.195  0.000  1.0
  Ta  Ta2  1  0.347  0.184  0.700  1.0
  Ta  Ta3  1  0.816  0.653  0.300  1.0
  Ti  Ti4  1  0.653  0.818  0.799  1.0
  Ti  Ti5  1  0.182  0.347  0.201  1.0
  O  O6  1  0.112  0.597  0.281  1.0
  O  O7  1  0.403  0.888  0.719  1.0
  O  O8  1  0.889  0.397  0.219  1.0
  O  O9  1  0.603  0.111  0.781  1.0
  O  O10  1  0.901  0.816  0.896  1.0
  O  O11  1  0.184  0.099  0.104  1.0
  O  O12  1  0.098  0.185  0.602  1.0
  O  O13  1  0.815  0.902  0.398  1.0
  O  O14  1  0.560  0.723  0.206  1.0
  O  O15  1  0.277  0.440  0.794  1.0
  O  O16  1  0.438  0.279  0.290  1.0
  O  O17  1  0.721  0.562  0.710  1.0
[/CIF]
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The compound described by LaTaTiO6 crystallizes in the monoclinic C2 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. In the second La site, La(2) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(6) 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 edges with three equivalent Ta(1)O6 octahedra. 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 edges with three equivalent Ti(1)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one La(1), one Ti(1), and one Ta(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one La(2), one Ti(1), and one Ta(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one La(1), one La(2), one Ti(1), and one Ta(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one La(1), one La(2), one Ti(1), and one Ta(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one La(1), one Ti(1), and one Ta(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one La(2), one Ti(1), and one Ta(1) atom. is represented by the CIF file [CIF]
data_LaTaTiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.202
_cell_length_b   7.202
_cell_length_c   5.308
_cell_angle_alpha   70.686
_cell_angle_beta   70.686
_cell_angle_gamma   76.469
_symmetry_Int_Tables_number   1
_cell_volume   242.801
_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
  La  La0  1  0.195  0.805  0.500  1.0
  La  La1  1  0.805  0.195  0.000  1.0
  Ta  Ta2  1  0.347  0.184  0.700  1.0
  Ta  Ta3  1  0.816  0.653  0.300  1.0
  Ti  Ti4  1  0.653  0.818  0.799  1.0
  Ti  Ti5  1  0.182  0.347  0.201  1.0
  O  O6  1  0.112  0.597  0.281  1.0
  O  O7  1  0.403  0.888  0.719  1.0
  O  O8  1  0.889  0.397  0.219  1.0
  O  O9  1  0.603  0.111  0.781  1.0
  O  O10  1  0.901  0.816  0.896  1.0
  O  O11  1  0.184  0.099  0.104  1.0
  O  O12  1  0.098  0.185  0.602  1.0
  O  O13  1  0.815  0.902  0.398  1.0
  O  O14  1  0.560  0.723  0.206  1.0
  O  O15  1  0.277  0.440  0.794  1.0
  O  O16  1  0.438  0.279  0.290  1.0
  O  O17  1  0.721  0.562  0.710  1.0
[/CIF]
.