The compound described by Li2LaTa2O7 crystallizes in the tetragonal I4/mmm space group. Li(1) is bonded to four equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent Li(1)O4 trigonal pyramids, and edges with four equivalent Li(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 72°. La(1) is bonded to four equivalent O(2) and eight equivalent O(3) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra, faces with four equivalent La(1)O12 cuboctahedra, and faces with eight equivalent Ta(1)O6 octahedra. Ta(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form TaO6 octahedra that share corners with five equivalent Ta(1)O6 octahedra, corners with four equivalent Li(1)O4 trigonal pyramids, and faces with four equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-17°. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Li(1) and one Ta(1) atom to form a mixture of distorted edge and corner-sharing OLi4Ta trigonal bipyramids. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent La(1) and two equivalent Ta(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent La(1) and two equivalent Ta(1) atoms. is represented by the CIF card [CIF]
data_Li2LaTa2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.001
_cell_length_b   4.001
_cell_length_c   9.707
_cell_angle_alpha   101.894
_cell_angle_beta   101.894
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   148.636
_cell_formula_units_Z   1
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  0.750  0.250  0.500  1.0
  Li  Li1  1  0.250  0.750  0.500  1.0
  La  La2  1  0.000  0.000  0.000  1.0
  Ta  Ta3  1  0.613  0.613  0.226  1.0
  Ta  Ta4  1  0.387  0.387  0.774  1.0
  O  O5  1  0.715  0.715  0.431  1.0
  O  O6  1  0.500  0.500  0.000  1.0
  O  O7  1  0.097  0.597  0.194  1.0
  O  O8  1  0.597  0.097  0.194  1.0
  O  O9  1  0.403  0.903  0.806  1.0
  O  O10  1  0.903  0.403  0.806  1.0
  O  O11  1  0.285  0.285  0.569  1.0
[/CIF]
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The compound described by Li2LaTa2O7 crystallizes in the tetragonal I4/mmm space group. Li(1) is bonded to four equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent Li(1)O4 trigonal pyramids, and edges with four equivalent Li(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 72°. La(1) is bonded to four equivalent O(2) and eight equivalent O(3) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra, faces with four equivalent La(1)O12 cuboctahedra, and faces with eight equivalent Ta(1)O6 octahedra. Ta(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form TaO6 octahedra that share corners with five equivalent Ta(1)O6 octahedra, corners with four equivalent Li(1)O4 trigonal pyramids, and faces with four equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-17°. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Li(1) and one Ta(1) atom to form a mixture of distorted edge and corner-sharing OLi4Ta trigonal bipyramids. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent La(1) and two equivalent Ta(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent La(1) and two equivalent Ta(1) atoms. is represented by the CIF card [CIF]
data_Li2LaTa2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.001
_cell_length_b   4.001
_cell_length_c   9.707
_cell_angle_alpha   101.894
_cell_angle_beta   101.894
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   148.636
_cell_formula_units_Z   1
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  0.750  0.250  0.500  1.0
  Li  Li1  1  0.250  0.750  0.500  1.0
  La  La2  1  0.000  0.000  0.000  1.0
  Ta  Ta3  1  0.613  0.613  0.226  1.0
  Ta  Ta4  1  0.387  0.387  0.774  1.0
  O  O5  1  0.715  0.715  0.431  1.0
  O  O6  1  0.500  0.500  0.000  1.0
  O  O7  1  0.097  0.597  0.194  1.0
  O  O8  1  0.597  0.097  0.194  1.0
  O  O9  1  0.403  0.903  0.806  1.0
  O  O10  1  0.903  0.403  0.806  1.0
  O  O11  1  0.285  0.285  0.569  1.0
[/CIF]
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