The crystal structure described by Li7BiO6 crystallizes in the triclinic P1 space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form distorted LiO4 trigonal pyramids that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Bi(1)O6 octahedra, corners with three equivalent Li(2)O4 tetrahedra, corners with three equivalent Li(7)O4 tetrahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Bi(1)O6 octahedra,  an edgeedge with one Li(5)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 9-62°. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form LiO4 tetrahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Bi(1)O6 octahedra, corners with three equivalent Li(7)O4 tetrahedra, corners with three equivalent Li(1)O4 trigonal pyramids,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Bi(1)O6 octahedra,  an edgeedge with one Li(5)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-56°. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted LiO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra, corners with two equivalent Li(1)O4 trigonal pyramids, edges with three equivalent Bi(1)O6 octahedra,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Li(5)O4 tetrahedra,  an edgeedge with one Li(6)O4 tetrahedra,  an edgeedge with one Li(7)O4 tetrahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(6) atom. In the fifth Li site, Li(5) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Bi(1)O6 octahedra, corners with three equivalent Li(6)O4 tetrahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Bi(1)O6 octahedra,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Li(7)O4 tetrahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 12-56°. In the sixth Li site, Li(6) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Bi(1)O6 octahedra, corners with three equivalent Li(5)O4 tetrahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Bi(1)O6 octahedra,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Li(7)O4 tetrahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 21-54°. In the seventh Li site, Li(7) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Bi(1)O6 octahedra, corners with three equivalent Li(2)O4 tetrahedra, corners with three equivalent Li(1)O4 trigonal pyramids,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Bi(1)O6 octahedra,  an edgeedge with one Li(5)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 14-62°. Bi(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form BiO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra, corners with two equivalent Li(1)O4 trigonal pyramids, edges with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Li(5)O4 tetrahedra,  an edgeedge with one Li(6)O4 tetrahedra,  an edgeedge with one Li(7)O4 tetrahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(3), one Li(4), one Li(7), and one Bi(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(1), one Li(3), one Li(4), one Li(5), one Li(6), and one Bi(1) atom. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Li(4), one Li(5), one Li(6), and one Bi(1) atom to form a mixture of distorted corner and edge-sharing OLi5Bi pentagonal pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Li(5), one Li(7), and one Bi(1) atom to form a mixture of distorted corner and edge-sharing OLi6Bi pentagonal bipyramids. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(3), one Li(6), one Li(7), and one Bi(1) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Li(3), one Li(4), one Li(5), one Li(6), one Li(7), and one Bi(1) atom. is represented by the CIF file [CIF]
data_Li7BiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.435
_cell_length_b   5.484
_cell_length_c   5.951
_cell_angle_alpha   63.533
_cell_angle_beta   64.425
_cell_angle_gamma   60.860
_symmetry_Int_Tables_number   1
_cell_volume   133.351
_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  0.111  0.742  0.616  1.0
  Li  Li1  1  0.475  0.150  0.613  1.0
  Li  Li2  1  0.358  0.333  0.985  1.0
  Li  Li3  1  0.622  0.633  0.061  1.0
  Li  Li4  1  0.503  0.897  0.373  1.0
  Li  Li5  1  0.911  0.234  0.355  1.0
  Li  Li6  1  0.802  0.494  0.621  1.0
  Bi  Bi7  1  0.009  0.979  0.005  1.0
  O  O8  1  0.095  0.372  0.782  1.0
  O  O9  1  0.244  0.917  0.242  1.0
  O  O10  1  0.621  0.224  0.237  1.0
  O  O11  1  0.399  0.753  0.757  1.0
  O  O12  1  0.780  0.098  0.733  1.0
  O  O13  1  0.879  0.619  0.243  1.0
[/CIF]
.
The crystal structure described by Li7BiO6 crystallizes in the triclinic P1 space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form distorted LiO4 trigonal pyramids that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Bi(1)O6 octahedra, corners with three equivalent Li(2)O4 tetrahedra, corners with three equivalent Li(7)O4 tetrahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Bi(1)O6 octahedra,  an edgeedge with one Li(5)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 9-62°. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form LiO4 tetrahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Bi(1)O6 octahedra, corners with three equivalent Li(7)O4 tetrahedra, corners with three equivalent Li(1)O4 trigonal pyramids,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Bi(1)O6 octahedra,  an edgeedge with one Li(5)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-56°. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted LiO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra, corners with two equivalent Li(1)O4 trigonal pyramids, edges with three equivalent Bi(1)O6 octahedra,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Li(5)O4 tetrahedra,  an edgeedge with one Li(6)O4 tetrahedra,  an edgeedge with one Li(7)O4 tetrahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(6) atom. In the fifth Li site, Li(5) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Bi(1)O6 octahedra, corners with three equivalent Li(6)O4 tetrahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Bi(1)O6 octahedra,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Li(7)O4 tetrahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 12-56°. In the sixth Li site, Li(6) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Bi(1)O6 octahedra, corners with three equivalent Li(5)O4 tetrahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Bi(1)O6 octahedra,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Li(7)O4 tetrahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 21-54°. In the seventh Li site, Li(7) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Bi(1)O6 octahedra, corners with three equivalent Li(2)O4 tetrahedra, corners with three equivalent Li(1)O4 trigonal pyramids,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Bi(1)O6 octahedra,  an edgeedge with one Li(5)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 14-62°. Bi(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form BiO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra, corners with two equivalent Li(1)O4 trigonal pyramids, edges with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Li(5)O4 tetrahedra,  an edgeedge with one Li(6)O4 tetrahedra,  an edgeedge with one Li(7)O4 tetrahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(3), one Li(4), one Li(7), and one Bi(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(1), one Li(3), one Li(4), one Li(5), one Li(6), and one Bi(1) atom. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Li(4), one Li(5), one Li(6), and one Bi(1) atom to form a mixture of distorted corner and edge-sharing OLi5Bi pentagonal pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Li(5), one Li(7), and one Bi(1) atom to form a mixture of distorted corner and edge-sharing OLi6Bi pentagonal bipyramids. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(3), one Li(6), one Li(7), and one Bi(1) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Li(3), one Li(4), one Li(5), one Li(6), one Li(7), and one Bi(1) atom. is represented by the CIF file [CIF]
data_Li7BiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.435
_cell_length_b   5.484
_cell_length_c   5.951
_cell_angle_alpha   63.533
_cell_angle_beta   64.425
_cell_angle_gamma   60.860
_symmetry_Int_Tables_number   1
_cell_volume   133.351
_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  0.111  0.742  0.616  1.0
  Li  Li1  1  0.475  0.150  0.613  1.0
  Li  Li2  1  0.358  0.333  0.985  1.0
  Li  Li3  1  0.622  0.633  0.061  1.0
  Li  Li4  1  0.503  0.897  0.373  1.0
  Li  Li5  1  0.911  0.234  0.355  1.0
  Li  Li6  1  0.802  0.494  0.621  1.0
  Bi  Bi7  1  0.009  0.979  0.005  1.0
  O  O8  1  0.095  0.372  0.782  1.0
  O  O9  1  0.244  0.917  0.242  1.0
  O  O10  1  0.621  0.224  0.237  1.0
  O  O11  1  0.399  0.753  0.757  1.0
  O  O12  1  0.780  0.098  0.733  1.0
  O  O13  1  0.879  0.619  0.243  1.0
[/CIF]
.