The crystal structure described by LiTa3O8 crystallizes in the orthorhombic Pmma space group. Li(1) is bonded in a 4-coordinate geometry to one O(3), one O(7), and two equivalent O(1) atoms. There are four inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one O(10), one O(5), one O(8), one O(9), and two equivalent O(3) atoms to form distorted TaO6 octahedra that share  a cornercorner with one Ta(4)O6 octahedra, corners with two equivalent Ta(3)O6 octahedra, corners with three equivalent Ta(1)O6 octahedra, and  an edgeedge with one Ta(2)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 0-35°. In the second Ta site, Ta(2) is bonded to one O(2), two equivalent O(4), two equivalent O(5), and two equivalent O(8) atoms to form TaO7 pentagonal bipyramids that share corners with two equivalent Ta(2)O7 pentagonal bipyramids,  an edgeedge with one Ta(4)O6 octahedra, edges with two equivalent Ta(1)O6 octahedra, and edges with two equivalent Ta(3)O6 octahedra. In the third Ta site, Ta(3) is bonded to one O(1), one O(2), one O(5), one O(9), and two equivalent O(6) atoms to form TaO6 octahedra that share  a cornercorner with one Ta(4)O6 octahedra, corners with two equivalent Ta(1)O6 octahedra, corners with three equivalent Ta(3)O6 octahedra, and  an edgeedge with one Ta(2)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 2-42°. In the fourth Ta site, Ta(4) is bonded to two equivalent O(1), two equivalent O(7), and two equivalent O(8) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra, corners with two equivalent Ta(3)O6 octahedra, corners with two equivalent Ta(4)O6 octahedra, and  an edgeedge with one Ta(2)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 3-42°. There are ten inequivalent O sites. In the first O site, O(6) is bonded in a linear geometry to two equivalent Ta(3) atoms. In the second O site, O(7) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent Ta(4) atoms. In the third O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Ta(1), one Ta(2), and one Ta(4) atom. In the fourth O site, O(9) is bonded in a bent 150 degrees geometry to one Ta(1) and one Ta(3) atom. In the fifth O site, O(10) is bonded in a linear geometry to two equivalent Ta(1) atoms. In the sixth O site, O(1) is bonded to two equivalent Li(1), one Ta(3), and one Ta(4) atom to form distorted corner-sharing OLi2Ta2 tetrahedra. In the seventh O site, O(2) is bonded in a distorted T-shaped geometry to one Ta(2) and two equivalent Ta(3) atoms. In the eighth O site, O(3) is bonded in a T-shaped geometry to one Li(1) and two equivalent Ta(1) atoms. In the ninth O site, O(4) is bonded in a linear geometry to two equivalent Ta(2) atoms. In the tenth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Ta(1), one Ta(2), and one Ta(3) atom. is represented by the CIF file [CIF]
data_LiTa3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.911
_cell_length_b   8.986
_cell_length_c   17.162
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   603.128
_cell_formula_units_Z   4
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  0.000  0.066  0.386  1.0
  Li  Li1  1  0.000  0.934  0.614  1.0
  Li  Li2  1  0.000  0.066  0.114  1.0
  Li  Li3  1  0.000  0.934  0.886  1.0
  Ta  Ta4  1  0.500  0.808  0.441  1.0
  Ta  Ta5  1  0.500  0.192  0.559  1.0
  Ta  Ta6  1  0.500  0.808  0.059  1.0
  Ta  Ta7  1  0.500  0.192  0.941  1.0
  Ta  Ta8  1  0.500  0.688  0.250  1.0
  Ta  Ta9  1  0.500  0.312  0.750  1.0
  Ta  Ta10  1  0.500  0.397  0.368  1.0
  Ta  Ta11  1  0.500  0.603  0.632  1.0
  Ta  Ta12  1  0.500  0.397  0.132  1.0
  Ta  Ta13  1  0.500  0.603  0.868  1.0
  Ta  Ta14  1  0.500  0.054  0.250  1.0
  Ta  Ta15  1  0.500  0.946  0.750  1.0
  O  O16  1  0.500  0.179  0.342  1.0
  O  O17  1  0.500  0.821  0.658  1.0
  O  O18  1  0.500  0.179  0.158  1.0
  O  O19  1  0.500  0.821  0.842  1.0
  O  O20  1  0.500  0.454  0.250  1.0
  O  O21  1  0.500  0.546  0.750  1.0
  O  O22  1  0.000  0.843  0.433  1.0
  O  O23  1  0.000  0.157  0.567  1.0
  O  O24  1  0.000  0.843  0.067  1.0
  O  O25  1  0.000  0.157  0.933  1.0
  O  O26  1  0.000  0.693  0.250  1.0
  O  O27  1  0.000  0.307  0.750  1.0
  O  O28  1  0.500  0.621  0.369  1.0
  O  O29  1  0.500  0.379  0.631  1.0
  O  O30  1  0.500  0.621  0.131  1.0
  O  O31  1  0.500  0.379  0.869  1.0
  O  O32  1  0.000  0.393  0.368  1.0
  O  O33  1  0.000  0.607  0.632  1.0
  O  O34  1  0.000  0.393  0.132  1.0
  O  O35  1  0.000  0.607  0.868  1.0
  O  O36  1  0.000  0.060  0.250  1.0
  O  O37  1  0.000  0.940  0.750  1.0
  O  O38  1  0.500  0.878  0.324  1.0
  O  O39  1  0.500  0.122  0.676  1.0
  O  O40  1  0.500  0.878  0.176  1.0
  O  O41  1  0.500  0.122  0.824  1.0
  O  O42  1  0.500  0.330  0.477  1.0
  O  O43  1  0.500  0.670  0.523  1.0
  O  O44  1  0.500  0.330  0.023  1.0
  O  O45  1  0.500  0.670  0.977  1.0
  O  O46  1  0.500  0.000  0.500  1.0
  O  O47  1  0.500  0.000  0.000  1.0
[/CIF]
.
The crystal structure described by LiTa3O8 crystallizes in the orthorhombic Pmma space group. Li(1) is bonded in a 4-coordinate geometry to one O(3), one O(7), and two equivalent O(1) atoms. There are four inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one O(10), one O(5), one O(8), one O(9), and two equivalent O(3) atoms to form distorted TaO6 octahedra that share  a cornercorner with one Ta(4)O6 octahedra, corners with two equivalent Ta(3)O6 octahedra, corners with three equivalent Ta(1)O6 octahedra, and  an edgeedge with one Ta(2)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 0-35°. In the second Ta site, Ta(2) is bonded to one O(2), two equivalent O(4), two equivalent O(5), and two equivalent O(8) atoms to form TaO7 pentagonal bipyramids that share corners with two equivalent Ta(2)O7 pentagonal bipyramids,  an edgeedge with one Ta(4)O6 octahedra, edges with two equivalent Ta(1)O6 octahedra, and edges with two equivalent Ta(3)O6 octahedra. In the third Ta site, Ta(3) is bonded to one O(1), one O(2), one O(5), one O(9), and two equivalent O(6) atoms to form TaO6 octahedra that share  a cornercorner with one Ta(4)O6 octahedra, corners with two equivalent Ta(1)O6 octahedra, corners with three equivalent Ta(3)O6 octahedra, and  an edgeedge with one Ta(2)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 2-42°. In the fourth Ta site, Ta(4) is bonded to two equivalent O(1), two equivalent O(7), and two equivalent O(8) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra, corners with two equivalent Ta(3)O6 octahedra, corners with two equivalent Ta(4)O6 octahedra, and  an edgeedge with one Ta(2)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 3-42°. There are ten inequivalent O sites. In the first O site, O(6) is bonded in a linear geometry to two equivalent Ta(3) atoms. In the second O site, O(7) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent Ta(4) atoms. In the third O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Ta(1), one Ta(2), and one Ta(4) atom. In the fourth O site, O(9) is bonded in a bent 150 degrees geometry to one Ta(1) and one Ta(3) atom. In the fifth O site, O(10) is bonded in a linear geometry to two equivalent Ta(1) atoms. In the sixth O site, O(1) is bonded to two equivalent Li(1), one Ta(3), and one Ta(4) atom to form distorted corner-sharing OLi2Ta2 tetrahedra. In the seventh O site, O(2) is bonded in a distorted T-shaped geometry to one Ta(2) and two equivalent Ta(3) atoms. In the eighth O site, O(3) is bonded in a T-shaped geometry to one Li(1) and two equivalent Ta(1) atoms. In the ninth O site, O(4) is bonded in a linear geometry to two equivalent Ta(2) atoms. In the tenth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Ta(1), one Ta(2), and one Ta(3) atom. is represented by the CIF file [CIF]
data_LiTa3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.911
_cell_length_b   8.986
_cell_length_c   17.162
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   603.128
_cell_formula_units_Z   4
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  0.000  0.066  0.386  1.0
  Li  Li1  1  0.000  0.934  0.614  1.0
  Li  Li2  1  0.000  0.066  0.114  1.0
  Li  Li3  1  0.000  0.934  0.886  1.0
  Ta  Ta4  1  0.500  0.808  0.441  1.0
  Ta  Ta5  1  0.500  0.192  0.559  1.0
  Ta  Ta6  1  0.500  0.808  0.059  1.0
  Ta  Ta7  1  0.500  0.192  0.941  1.0
  Ta  Ta8  1  0.500  0.688  0.250  1.0
  Ta  Ta9  1  0.500  0.312  0.750  1.0
  Ta  Ta10  1  0.500  0.397  0.368  1.0
  Ta  Ta11  1  0.500  0.603  0.632  1.0
  Ta  Ta12  1  0.500  0.397  0.132  1.0
  Ta  Ta13  1  0.500  0.603  0.868  1.0
  Ta  Ta14  1  0.500  0.054  0.250  1.0
  Ta  Ta15  1  0.500  0.946  0.750  1.0
  O  O16  1  0.500  0.179  0.342  1.0
  O  O17  1  0.500  0.821  0.658  1.0
  O  O18  1  0.500  0.179  0.158  1.0
  O  O19  1  0.500  0.821  0.842  1.0
  O  O20  1  0.500  0.454  0.250  1.0
  O  O21  1  0.500  0.546  0.750  1.0
  O  O22  1  0.000  0.843  0.433  1.0
  O  O23  1  0.000  0.157  0.567  1.0
  O  O24  1  0.000  0.843  0.067  1.0
  O  O25  1  0.000  0.157  0.933  1.0
  O  O26  1  0.000  0.693  0.250  1.0
  O  O27  1  0.000  0.307  0.750  1.0
  O  O28  1  0.500  0.621  0.369  1.0
  O  O29  1  0.500  0.379  0.631  1.0
  O  O30  1  0.500  0.621  0.131  1.0
  O  O31  1  0.500  0.379  0.869  1.0
  O  O32  1  0.000  0.393  0.368  1.0
  O  O33  1  0.000  0.607  0.632  1.0
  O  O34  1  0.000  0.393  0.132  1.0
  O  O35  1  0.000  0.607  0.868  1.0
  O  O36  1  0.000  0.060  0.250  1.0
  O  O37  1  0.000  0.940  0.750  1.0
  O  O38  1  0.500  0.878  0.324  1.0
  O  O39  1  0.500  0.122  0.676  1.0
  O  O40  1  0.500  0.878  0.176  1.0
  O  O41  1  0.500  0.122  0.824  1.0
  O  O42  1  0.500  0.330  0.477  1.0
  O  O43  1  0.500  0.670  0.523  1.0
  O  O44  1  0.500  0.330  0.023  1.0
  O  O45  1  0.500  0.670  0.977  1.0
  O  O46  1  0.500  0.000  0.500  1.0
  O  O47  1  0.500  0.000  0.000  1.0
[/CIF]
.