The crystal structure described by Li7OsO6 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(3), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent Os(1)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(7)O4 tetrahedra,  an edgeedge with one Os(1)O6 octahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 22-48°. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and one O(6) atom. In the third Li site, Li(3) 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 Os(1)O6 octahedra, corners with three equivalent Li(6)O4 tetrahedra,  an edgeedge with one Os(1)O6 octahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Li(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-51°. In the fourth Li site, Li(4) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Os(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(7)O4 tetrahedra,  an edgeedge with one Os(1)O6 octahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 7-58°. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the sixth Li site, Li(6) 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 Os(1)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra,  an edgeedge with one Os(1)O6 octahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Li(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-54°. In the seventh Li site, Li(7) 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 Os(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Os(1)O6 octahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-58°. Os(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 OsO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra,  an edgeedge with one Li(6)O4 tetrahedra, and  an edgeedge with one Li(7)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Li(5), one Li(6), and one Os(1) atom to form distorted OLi5Os pentagonal pyramids that share  a cornercorner with one O(5)Li5Os octahedra, corners with two equivalent O(2)Li5Os octahedra,  a cornercorner with one O(6)Li6Os pentagonal bipyramid,  an edgeedge with one O(2)Li5Os octahedra, edges with two equivalent O(5)Li5Os octahedra, and edges with two equivalent O(6)Li6Os pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 18-77°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(4), one Li(5), one Li(7), and one Os(1) atom to form distorted OLi5Os octahedra that share corners with two equivalent O(5)Li5Os octahedra, corners with two equivalent O(1)Li5Os pentagonal pyramids,  an edgeedge with one O(5)Li5Os octahedra, edges with three equivalent O(6)Li6Os pentagonal bipyramids, and  an edgeedge with one O(1)Li5Os pentagonal pyramid. The corner-sharing octahedral tilt angles range from 4-58°. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(1), one Li(3), one Li(4), one Li(5), one Li(7), and one Os(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(2), one Li(3), one Li(4), one Li(5), one Li(6), and one Os(1) atom. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Li(5), one Li(6), one Li(7), and one Os(1) atom to form distorted OLi5Os octahedra that share corners with two equivalent O(2)Li5Os octahedra,  a cornercorner with one O(6)Li6Os pentagonal bipyramid,  a cornercorner with one O(1)Li5Os pentagonal pyramid,  an edgeedge with one O(2)Li5Os octahedra, edges with two equivalent O(6)Li6Os pentagonal bipyramids, and edges with two equivalent O(1)Li5Os pentagonal pyramids. The corner-sharing octahedral tilt angles range from 4-58°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(4), one Li(5), one Li(6), one Li(7), and one Os(1) atom to form a mixture of distorted edge and corner-sharing OLi6Os pentagonal bipyramids. The corner-sharing octahedral tilt angles are 19°. is represented by the CIF card [CIF]
data_Li7OsO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.370
_cell_length_b   5.443
_cell_length_c   5.853
_cell_angle_alpha   90.802
_cell_angle_beta   115.984
_cell_angle_gamma   119.395
_symmetry_Int_Tables_number   1
_cell_volume   128.119
_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  0.387  0.859  0.624  1.0
  Li  Li1  1  0.736  0.360  0.039  1.0
  Li  Li2  1  0.851  0.761  0.347  1.0
  Li  Li3  1  0.150  0.257  0.628  1.0
  Li  Li4  1  0.292  0.635  0.997  1.0
  Li  Li5  1  0.595  0.103  0.356  1.0
  Li  Li6  1  0.700  0.505  0.617  1.0
  Os  Os7  1  0.004  0.010  0.002  1.0
  O  O8  1  0.151  0.783  0.230  1.0
  O  O9  1  0.551  0.634  0.799  1.0
  O  O10  1  0.117  0.901  0.745  1.0
  O  O11  1  0.857  0.091  0.235  1.0
  O  O12  1  0.465  0.371  0.221  1.0
  O  O13  1  0.841  0.232  0.759  1.0
[/CIF]
.
The crystal structure described by Li7OsO6 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(3), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent Os(1)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(7)O4 tetrahedra,  an edgeedge with one Os(1)O6 octahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 22-48°. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and one O(6) atom. In the third Li site, Li(3) 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 Os(1)O6 octahedra, corners with three equivalent Li(6)O4 tetrahedra,  an edgeedge with one Os(1)O6 octahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Li(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-51°. In the fourth Li site, Li(4) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Os(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(7)O4 tetrahedra,  an edgeedge with one Os(1)O6 octahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 7-58°. In the fifth Li site, Li(5) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the sixth Li site, Li(6) 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 Os(1)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra,  an edgeedge with one Os(1)O6 octahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Li(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-54°. In the seventh Li site, Li(7) 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 Os(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Os(1)O6 octahedra,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-58°. Os(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 OsO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra,  an edgeedge with one Li(6)O4 tetrahedra, and  an edgeedge with one Li(7)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Li(5), one Li(6), and one Os(1) atom to form distorted OLi5Os pentagonal pyramids that share  a cornercorner with one O(5)Li5Os octahedra, corners with two equivalent O(2)Li5Os octahedra,  a cornercorner with one O(6)Li6Os pentagonal bipyramid,  an edgeedge with one O(2)Li5Os octahedra, edges with two equivalent O(5)Li5Os octahedra, and edges with two equivalent O(6)Li6Os pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 18-77°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(4), one Li(5), one Li(7), and one Os(1) atom to form distorted OLi5Os octahedra that share corners with two equivalent O(5)Li5Os octahedra, corners with two equivalent O(1)Li5Os pentagonal pyramids,  an edgeedge with one O(5)Li5Os octahedra, edges with three equivalent O(6)Li6Os pentagonal bipyramids, and  an edgeedge with one O(1)Li5Os pentagonal pyramid. The corner-sharing octahedral tilt angles range from 4-58°. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(1), one Li(3), one Li(4), one Li(5), one Li(7), and one Os(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(2), one Li(3), one Li(4), one Li(5), one Li(6), and one Os(1) atom. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Li(5), one Li(6), one Li(7), and one Os(1) atom to form distorted OLi5Os octahedra that share corners with two equivalent O(2)Li5Os octahedra,  a cornercorner with one O(6)Li6Os pentagonal bipyramid,  a cornercorner with one O(1)Li5Os pentagonal pyramid,  an edgeedge with one O(2)Li5Os octahedra, edges with two equivalent O(6)Li6Os pentagonal bipyramids, and edges with two equivalent O(1)Li5Os pentagonal pyramids. The corner-sharing octahedral tilt angles range from 4-58°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(4), one Li(5), one Li(6), one Li(7), and one Os(1) atom to form a mixture of distorted edge and corner-sharing OLi6Os pentagonal bipyramids. The corner-sharing octahedral tilt angles are 19°. is represented by the CIF card [CIF]
data_Li7OsO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.370
_cell_length_b   5.443
_cell_length_c   5.853
_cell_angle_alpha   90.802
_cell_angle_beta   115.984
_cell_angle_gamma   119.395
_symmetry_Int_Tables_number   1
_cell_volume   128.119
_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  0.387  0.859  0.624  1.0
  Li  Li1  1  0.736  0.360  0.039  1.0
  Li  Li2  1  0.851  0.761  0.347  1.0
  Li  Li3  1  0.150  0.257  0.628  1.0
  Li  Li4  1  0.292  0.635  0.997  1.0
  Li  Li5  1  0.595  0.103  0.356  1.0
  Li  Li6  1  0.700  0.505  0.617  1.0
  Os  Os7  1  0.004  0.010  0.002  1.0
  O  O8  1  0.151  0.783  0.230  1.0
  O  O9  1  0.551  0.634  0.799  1.0
  O  O10  1  0.117  0.901  0.745  1.0
  O  O11  1  0.857  0.091  0.235  1.0
  O  O12  1  0.465  0.371  0.221  1.0
  O  O13  1  0.841  0.232  0.759  1.0
[/CIF]
.