The structure described by LiTaO3 crystallizes in the orthorhombic Cmcm space group. Li(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. Ta(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one Ta(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Ta(1) atoms. is represented by the CIF file [CIF]
data_LiTaO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.082
_cell_length_b   5.082
_cell_length_c   5.682
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   96.747
_symmetry_Int_Tables_number   1
_cell_volume   145.723
_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  0.500  0.500  0.000  1.0
  Li  Li1  1  0.500  0.500  0.500  1.0
  Ta  Ta2  1  0.921  0.079  0.750  1.0
  Ta  Ta3  1  0.079  0.921  0.250  1.0
  O  O4  1  0.683  0.317  0.750  1.0
  O  O5  1  0.317  0.683  0.250  1.0
  O  O6  1  0.187  0.187  0.000  1.0
  O  O7  1  0.813  0.813  0.500  1.0
  O  O8  1  0.813  0.813  0.000  1.0
  O  O9  1  0.187  0.187  0.500  1.0
[/CIF]
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The structure described by LiTaO3 crystallizes in the orthorhombic Cmcm space group. Li(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. Ta(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one Ta(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Ta(1) atoms. is represented by the CIF file [CIF]
data_LiTaO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.082
_cell_length_b   5.082
_cell_length_c   5.682
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   96.747
_symmetry_Int_Tables_number   1
_cell_volume   145.723
_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  0.500  0.500  0.000  1.0
  Li  Li1  1  0.500  0.500  0.500  1.0
  Ta  Ta2  1  0.921  0.079  0.750  1.0
  Ta  Ta3  1  0.079  0.921  0.250  1.0
  O  O4  1  0.683  0.317  0.750  1.0
  O  O5  1  0.317  0.683  0.250  1.0
  O  O6  1  0.187  0.187  0.000  1.0
  O  O7  1  0.813  0.813  0.500  1.0
  O  O8  1  0.813  0.813  0.000  1.0
  O  O9  1  0.187  0.187  0.500  1.0
[/CIF]
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