The material structure described by LiTaO3 is Calcite structured and crystallizes in the trigonal R3c space group. Li(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. Ta(1) is bonded to six equivalent O(1) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles are 40°. O(1) is bonded in a distorted see-saw-like geometry to two equivalent Li(1) and two equivalent Ta(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiTaO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.477
_cell_length_b   5.477
_cell_length_c   5.477
_cell_angle_alpha   55.899
_cell_angle_beta   55.899
_cell_angle_gamma   55.899
_symmetry_Int_Tables_number   1
_cell_volume   105.125
_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
  Li  Li0  1  0.283  0.283  0.283  1.0
  Li  Li1  1  0.783  0.783  0.783  1.0
  Ta  Ta2  1  0.999  0.999  0.999  1.0
  Ta  Ta3  1  0.499  0.499  0.499  1.0
  O  O4  1  0.614  0.224  0.867  1.0
  O  O5  1  0.724  0.114  0.367  1.0
  O  O6  1  0.114  0.367  0.724  1.0
  O  O7  1  0.367  0.724  0.114  1.0
  O  O8  1  0.867  0.614  0.224  1.0
  O  O9  1  0.224  0.867  0.614  1.0
[/CIF]
.
The material structure described by LiTaO3 is Calcite structured and crystallizes in the trigonal R3c space group. Li(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. Ta(1) is bonded to six equivalent O(1) atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles are 40°. O(1) is bonded in a distorted see-saw-like geometry to two equivalent Li(1) and two equivalent Ta(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiTaO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.477
_cell_length_b   5.477
_cell_length_c   5.477
_cell_angle_alpha   55.899
_cell_angle_beta   55.899
_cell_angle_gamma   55.899
_symmetry_Int_Tables_number   1
_cell_volume   105.125
_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
  Li  Li0  1  0.283  0.283  0.283  1.0
  Li  Li1  1  0.783  0.783  0.783  1.0
  Ta  Ta2  1  0.999  0.999  0.999  1.0
  Ta  Ta3  1  0.499  0.499  0.499  1.0
  O  O4  1  0.614  0.224  0.867  1.0
  O  O5  1  0.724  0.114  0.367  1.0
  O  O6  1  0.114  0.367  0.724  1.0
  O  O7  1  0.367  0.724  0.114  1.0
  O  O8  1  0.867  0.614  0.224  1.0
  O  O9  1  0.224  0.867  0.614  1.0
[/CIF]
.