The material structure described by LiTa6O15 crystallizes in the orthorhombic Pmc2_1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(13), one O(3), and two equivalent O(6) atoms. There are six inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one O(11), one O(14), one O(2), one O(9), and two equivalent O(3) atoms to form TaO6 octahedra that share  a cornercorner with one Ta(2)O6 octahedra,  a cornercorner with one Ta(4)O6 octahedra,  a cornercorner with one Ta(5)O6 octahedra, corners with two equivalent Ta(1)O6 octahedra, and  an edgeedge with one Ta(3)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 10-36°. In the second Ta site, Ta(2) is bonded to one O(1), one O(10), one O(12), one O(14), and two equivalent O(4) atoms to form TaO6 octahedra that share  a cornercorner with one Ta(1)O6 octahedra,  a cornercorner with one Ta(4)O6 octahedra,  a cornercorner with one Ta(5)O6 octahedra, corners with two equivalent Ta(2)O6 octahedra, and  an edgeedge with one Ta(3)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 8-40°. In the third Ta site, Ta(3) is bonded to one O(10), one O(11), one O(12), one O(8), one O(9), and two equivalent O(5) atoms to form TaO7 pentagonal bipyramids that share corners with two equivalent Ta(3)O7 pentagonal bipyramids,  an edgeedge with one Ta(1)O6 octahedra,  an edgeedge with one Ta(2)O6 octahedra,  an edgeedge with one Ta(4)O6 octahedra, and  an edgeedge with one Ta(5)O6 octahedra. In the fourth Ta site, Ta(4) is bonded to one O(11), one O(12), one O(6), one O(7), and two equivalent O(13) atoms to form TaO6 octahedra that share  a cornercorner with one Ta(1)O6 octahedra,  a cornercorner with one Ta(2)O6 octahedra,  a cornercorner with one Ta(5)O6 octahedra, corners with two equivalent Ta(4)O6 octahedra, and  an edgeedge with one Ta(3)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 13-40°. In the fifth Ta site, Ta(5) is bonded to one O(1), one O(6), one O(8), one O(9), and two equivalent O(15) atoms to form TaO6 octahedra that share  a cornercorner with one Ta(1)O6 octahedra,  a cornercorner with one Ta(2)O6 octahedra,  a cornercorner with one Ta(4)O6 octahedra, corners with two equivalent Ta(5)O6 octahedra, and  an edgeedge with one Ta(3)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 8-37°. In the sixth Ta site, Ta(6) is bonded in a rectangular see-saw-like geometry to one O(10), one O(2), one O(7), and one O(8) atom. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ta(2) and one Ta(5) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ta(1) and one Ta(6) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Li(1) and two equivalent Ta(1) atoms. In the fourth O site, O(4) is bonded in a linear geometry to two equivalent Ta(2) atoms. In the fifth O site, O(5) is bonded in a linear geometry to two equivalent Ta(3) atoms. In the sixth O site, O(6) is bonded to two equivalent Li(1), one Ta(4), and one Ta(5) atom to form distorted corner-sharing OLi2Ta2 tetrahedra. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Ta(4) and one Ta(6) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Ta(3), one Ta(5), and one Ta(6) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Ta(1), one Ta(3), and one Ta(5) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Ta(2), one Ta(3), and one Ta(6) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ta(1), one Ta(3), and one Ta(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Ta(2), one Ta(3), and one Ta(4) atom. In the thirteenth O site, O(13) is bonded in a T-shaped geometry to one Li(1) and two equivalent Ta(4) atoms. In the fourteenth O site, O(14) is bonded in a linear geometry to one Ta(1) and one Ta(2) atom. In the fifteenth O site, O(15) is bonded in a linear geometry to two equivalent Ta(5) atoms. is represented by the CIF file [CIF]
data_LiTa6O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.885
_cell_length_b   9.062
_cell_length_c   17.034
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   599.753
_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  0.047  0.383  1.0
  Li  Li1  1  0.500  0.953  0.883  1.0
  Ta  Ta2  1  0.000  0.802  0.440  1.0
  Ta  Ta3  1  0.000  0.179  0.556  1.0
  Ta  Ta4  1  0.000  0.821  0.056  1.0
  Ta  Ta5  1  0.000  0.198  0.940  1.0
  Ta  Ta6  1  0.000  0.689  0.252  1.0
  Ta  Ta7  1  0.000  0.311  0.752  1.0
  Ta  Ta8  1  0.000  0.053  0.245  1.0
  Ta  Ta9  1  0.000  0.947  0.745  1.0
  Ta  Ta10  1  0.000  0.389  0.370  1.0
  Ta  Ta11  1  0.000  0.595  0.633  1.0
  Ta  Ta12  1  0.000  0.405  0.133  1.0
  Ta  Ta13  1  0.000  0.611  0.870  1.0
  O  O14  1  0.000  0.330  0.478  1.0
  O  O15  1  0.000  0.659  0.526  1.0
  O  O16  1  0.000  0.341  0.026  1.0
  O  O17  1  0.000  0.670  0.978  1.0
  O  O18  1  0.500  0.830  0.438  1.0
  O  O19  1  0.500  0.174  0.564  1.0
  O  O20  1  0.500  0.826  0.064  1.0
  O  O21  1  0.500  0.170  0.938  1.0
  O  O22  1  0.500  0.688  0.248  1.0
  O  O23  1  0.500  0.312  0.748  1.0
  O  O24  1  0.000  0.183  0.338  1.0
  O  O25  1  0.000  0.798  0.666  1.0
  O  O26  1  0.000  0.202  0.166  1.0
  O  O27  1  0.000  0.817  0.838  1.0
  O  O28  1  0.000  0.456  0.247  1.0
  O  O29  1  0.000  0.544  0.747  1.0
  O  O30  1  0.000  0.619  0.369  1.0
  O  O31  1  0.000  0.383  0.630  1.0
  O  O32  1  0.000  0.617  0.130  1.0
  O  O33  1  0.000  0.381  0.869  1.0
  O  O34  1  0.000  0.876  0.326  1.0
  O  O35  1  0.000  0.124  0.675  1.0
  O  O36  1  0.000  0.876  0.175  1.0
  O  O37  1  0.000  0.124  0.826  1.0
  O  O38  1  0.500  0.051  0.258  1.0
  O  O39  1  0.500  0.949  0.758  1.0
  O  O40  1  0.000  0.004  0.490  1.0
  O  O41  1  0.000  0.996  0.990  1.0
  O  O42  1  0.500  0.402  0.366  1.0
  O  O43  1  0.500  0.598  0.866  1.0
[/CIF]
.
The material structure described by LiTa6O15 crystallizes in the orthorhombic Pmc2_1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(13), one O(3), and two equivalent O(6) atoms. There are six inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one O(11), one O(14), one O(2), one O(9), and two equivalent O(3) atoms to form TaO6 octahedra that share  a cornercorner with one Ta(2)O6 octahedra,  a cornercorner with one Ta(4)O6 octahedra,  a cornercorner with one Ta(5)O6 octahedra, corners with two equivalent Ta(1)O6 octahedra, and  an edgeedge with one Ta(3)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 10-36°. In the second Ta site, Ta(2) is bonded to one O(1), one O(10), one O(12), one O(14), and two equivalent O(4) atoms to form TaO6 octahedra that share  a cornercorner with one Ta(1)O6 octahedra,  a cornercorner with one Ta(4)O6 octahedra,  a cornercorner with one Ta(5)O6 octahedra, corners with two equivalent Ta(2)O6 octahedra, and  an edgeedge with one Ta(3)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 8-40°. In the third Ta site, Ta(3) is bonded to one O(10), one O(11), one O(12), one O(8), one O(9), and two equivalent O(5) atoms to form TaO7 pentagonal bipyramids that share corners with two equivalent Ta(3)O7 pentagonal bipyramids,  an edgeedge with one Ta(1)O6 octahedra,  an edgeedge with one Ta(2)O6 octahedra,  an edgeedge with one Ta(4)O6 octahedra, and  an edgeedge with one Ta(5)O6 octahedra. In the fourth Ta site, Ta(4) is bonded to one O(11), one O(12), one O(6), one O(7), and two equivalent O(13) atoms to form TaO6 octahedra that share  a cornercorner with one Ta(1)O6 octahedra,  a cornercorner with one Ta(2)O6 octahedra,  a cornercorner with one Ta(5)O6 octahedra, corners with two equivalent Ta(4)O6 octahedra, and  an edgeedge with one Ta(3)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 13-40°. In the fifth Ta site, Ta(5) is bonded to one O(1), one O(6), one O(8), one O(9), and two equivalent O(15) atoms to form TaO6 octahedra that share  a cornercorner with one Ta(1)O6 octahedra,  a cornercorner with one Ta(2)O6 octahedra,  a cornercorner with one Ta(4)O6 octahedra, corners with two equivalent Ta(5)O6 octahedra, and  an edgeedge with one Ta(3)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 8-37°. In the sixth Ta site, Ta(6) is bonded in a rectangular see-saw-like geometry to one O(10), one O(2), one O(7), and one O(8) atom. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ta(2) and one Ta(5) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ta(1) and one Ta(6) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Li(1) and two equivalent Ta(1) atoms. In the fourth O site, O(4) is bonded in a linear geometry to two equivalent Ta(2) atoms. In the fifth O site, O(5) is bonded in a linear geometry to two equivalent Ta(3) atoms. In the sixth O site, O(6) is bonded to two equivalent Li(1), one Ta(4), and one Ta(5) atom to form distorted corner-sharing OLi2Ta2 tetrahedra. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Ta(4) and one Ta(6) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Ta(3), one Ta(5), and one Ta(6) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Ta(1), one Ta(3), and one Ta(5) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Ta(2), one Ta(3), and one Ta(6) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ta(1), one Ta(3), and one Ta(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Ta(2), one Ta(3), and one Ta(4) atom. In the thirteenth O site, O(13) is bonded in a T-shaped geometry to one Li(1) and two equivalent Ta(4) atoms. In the fourteenth O site, O(14) is bonded in a linear geometry to one Ta(1) and one Ta(2) atom. In the fifteenth O site, O(15) is bonded in a linear geometry to two equivalent Ta(5) atoms. is represented by the CIF file [CIF]
data_LiTa6O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.885
_cell_length_b   9.062
_cell_length_c   17.034
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   599.753
_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  0.047  0.383  1.0
  Li  Li1  1  0.500  0.953  0.883  1.0
  Ta  Ta2  1  0.000  0.802  0.440  1.0
  Ta  Ta3  1  0.000  0.179  0.556  1.0
  Ta  Ta4  1  0.000  0.821  0.056  1.0
  Ta  Ta5  1  0.000  0.198  0.940  1.0
  Ta  Ta6  1  0.000  0.689  0.252  1.0
  Ta  Ta7  1  0.000  0.311  0.752  1.0
  Ta  Ta8  1  0.000  0.053  0.245  1.0
  Ta  Ta9  1  0.000  0.947  0.745  1.0
  Ta  Ta10  1  0.000  0.389  0.370  1.0
  Ta  Ta11  1  0.000  0.595  0.633  1.0
  Ta  Ta12  1  0.000  0.405  0.133  1.0
  Ta  Ta13  1  0.000  0.611  0.870  1.0
  O  O14  1  0.000  0.330  0.478  1.0
  O  O15  1  0.000  0.659  0.526  1.0
  O  O16  1  0.000  0.341  0.026  1.0
  O  O17  1  0.000  0.670  0.978  1.0
  O  O18  1  0.500  0.830  0.438  1.0
  O  O19  1  0.500  0.174  0.564  1.0
  O  O20  1  0.500  0.826  0.064  1.0
  O  O21  1  0.500  0.170  0.938  1.0
  O  O22  1  0.500  0.688  0.248  1.0
  O  O23  1  0.500  0.312  0.748  1.0
  O  O24  1  0.000  0.183  0.338  1.0
  O  O25  1  0.000  0.798  0.666  1.0
  O  O26  1  0.000  0.202  0.166  1.0
  O  O27  1  0.000  0.817  0.838  1.0
  O  O28  1  0.000  0.456  0.247  1.0
  O  O29  1  0.000  0.544  0.747  1.0
  O  O30  1  0.000  0.619  0.369  1.0
  O  O31  1  0.000  0.383  0.630  1.0
  O  O32  1  0.000  0.617  0.130  1.0
  O  O33  1  0.000  0.381  0.869  1.0
  O  O34  1  0.000  0.876  0.326  1.0
  O  O35  1  0.000  0.124  0.675  1.0
  O  O36  1  0.000  0.876  0.175  1.0
  O  O37  1  0.000  0.124  0.826  1.0
  O  O38  1  0.500  0.051  0.258  1.0
  O  O39  1  0.500  0.949  0.758  1.0
  O  O40  1  0.000  0.004  0.490  1.0
  O  O41  1  0.000  0.996  0.990  1.0
  O  O42  1  0.500  0.402  0.366  1.0
  O  O43  1  0.500  0.598  0.866  1.0
[/CIF]
.