The crystal structure described by LiLaTa2O7 crystallizes in the tetragonal I-4m2 space group. Li(1) is bonded to four equivalent O(3) atoms to form corner-sharing LiO4 tetrahedra. La(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(4) atoms to form a mixture of face and corner-sharing LaO12 cuboctahedra. Ta(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent La(1) and two equivalent Ta(1) atoms. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent La(1) and two equivalent Ta(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Ta(1) atom. In the fourth O site, O(4) is bonded to four equivalent La(1) and two equivalent Ta(1) atoms to form a mixture of edge and corner-sharing OLa4Ta2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_LiLaTa2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.889
_cell_length_b   3.889
_cell_length_c   10.727
_cell_angle_alpha   79.556
_cell_angle_beta   79.556
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   156.849
_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
  La  La1  1  0.000  0.000  0.000  1.0
  Ta  Ta2  1  0.388  0.388  0.223  1.0
  Ta  Ta3  1  0.612  0.612  0.777  1.0
  O  O4  1  0.590  0.090  0.820  1.0
  O  O5  1  0.089  0.589  0.822  1.0
  O  O6  1  0.411  0.911  0.178  1.0
  O  O7  1  0.910  0.410  0.180  1.0
  O  O8  1  0.301  0.301  0.397  1.0
  O  O9  1  0.699  0.699  0.603  1.0
  O  O10  1  0.500  0.500  0.000  1.0
[/CIF]
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The crystal structure described by LiLaTa2O7 crystallizes in the tetragonal I-4m2 space group. Li(1) is bonded to four equivalent O(3) atoms to form corner-sharing LiO4 tetrahedra. La(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(4) atoms to form a mixture of face and corner-sharing LaO12 cuboctahedra. Ta(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent La(1) and two equivalent Ta(1) atoms. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent La(1) and two equivalent Ta(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Ta(1) atom. In the fourth O site, O(4) is bonded to four equivalent La(1) and two equivalent Ta(1) atoms to form a mixture of edge and corner-sharing OLa4Ta2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_LiLaTa2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.889
_cell_length_b   3.889
_cell_length_c   10.727
_cell_angle_alpha   79.556
_cell_angle_beta   79.556
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   156.849
_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
  La  La1  1  0.000  0.000  0.000  1.0
  Ta  Ta2  1  0.388  0.388  0.223  1.0
  Ta  Ta3  1  0.612  0.612  0.777  1.0
  O  O4  1  0.590  0.090  0.820  1.0
  O  O5  1  0.089  0.589  0.822  1.0
  O  O6  1  0.411  0.911  0.178  1.0
  O  O7  1  0.910  0.410  0.180  1.0
  O  O8  1  0.301  0.301  0.397  1.0
  O  O9  1  0.699  0.699  0.603  1.0
  O  O10  1  0.500  0.500  0.000  1.0
[/CIF]
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