The structure described by Li5OsO6 is Caswellsilverite-like structured and crystallizes in the trigonal P3_112 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with three equivalent Li(4)O6 octahedra, and edges with three equivalent Os(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Os(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Os(1)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Os(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Os(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. In the fourth Li site, Li(4) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Os(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the fifth Li site, Li(5) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Os(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Os(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. Os(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form OsO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Li(5), and one Os(1) atom to form a mixture of corner and edge-sharing OLi5Os octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Li(5), and one Os(1) atom to form a mixture of corner and edge-sharing OLi5Os octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Li(5), and one Os(1) atom to form a mixture of corner and edge-sharing OLi5Os octahedra. The corner-sharing octahedral tilt angles range from 0-12°. is represented by the CIF file [CIF]
data_Li5OsO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.008
_cell_length_b   5.008
_cell_length_c   14.031
_cell_angle_alpha   90.001
_cell_angle_beta   89.998
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   304.728
_cell_formula_units_Z   3
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  0.554  0.777  1.000  1.0
  Li  Li1  1  0.223  0.777  0.333  1.0
  Li  Li2  1  0.223  0.446  0.667  1.0
  Li  Li3  1  0.890  0.445  0.500  1.0
  Li  Li4  1  0.555  0.445  0.833  1.0
  Li  Li5  1  0.555  0.110  0.167  1.0
  Li  Li6  1  0.530  0.765  0.500  1.0
  Li  Li7  1  0.235  0.765  0.833  1.0
  Li  Li8  1  0.235  0.470  0.167  1.0
  Li  Li9  1  0.890  0.445  1.000  1.0
  Li  Li10  1  0.555  0.445  0.333  1.0
  Li  Li11  1  0.555  0.110  0.667  1.0
  Li  Li12  1  0.247  0.124  0.500  1.0
  Li  Li13  1  0.877  0.124  0.833  1.0
  Li  Li14  1  0.876  0.753  0.167  1.0
  Os  Os15  1  0.221  0.110  1.000  1.0
  Os  Os16  1  0.890  0.110  0.333  1.0
  Os  Os17  1  0.890  0.779  0.667  1.0
  O  O18  1  0.223  0.423  0.921  1.0
  O  O19  1  0.577  0.800  0.254  1.0
  O  O20  1  0.224  0.800  0.079  1.0
  O  O21  1  0.200  0.776  0.588  1.0
  O  O22  1  0.577  0.776  0.746  1.0
  O  O23  1  0.200  0.423  0.412  1.0
  O  O24  1  0.915  0.113  0.077  1.0
  O  O25  1  0.887  0.803  0.411  1.0
  O  O26  1  0.916  0.803  0.923  1.0
  O  O27  1  0.197  0.084  0.744  1.0
  O  O28  1  0.887  0.084  0.589  1.0
  O  O29  1  0.197  0.113  0.256  1.0
  O  O30  1  0.532  0.112  0.922  1.0
  O  O31  1  0.888  0.420  0.255  1.0
  O  O32  1  0.532  0.420  0.078  1.0
  O  O33  1  0.580  0.468  0.588  1.0
  O  O34  1  0.888  0.468  0.745  1.0
  O  O35  1  0.580  0.112  0.412  1.0
[/CIF]
.
The structure described by Li5OsO6 is Caswellsilverite-like structured and crystallizes in the trigonal P3_112 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with three equivalent Li(4)O6 octahedra, and edges with three equivalent Os(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Os(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Os(1)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Os(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Os(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. In the fourth Li site, Li(4) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Os(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the fifth Li site, Li(5) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Os(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Os(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. Os(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form OsO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Li(5), and one Os(1) atom to form a mixture of corner and edge-sharing OLi5Os octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Li(5), and one Os(1) atom to form a mixture of corner and edge-sharing OLi5Os octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Li(5), and one Os(1) atom to form a mixture of corner and edge-sharing OLi5Os octahedra. The corner-sharing octahedral tilt angles range from 0-12°. is represented by the CIF file [CIF]
data_Li5OsO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.008
_cell_length_b   5.008
_cell_length_c   14.031
_cell_angle_alpha   90.001
_cell_angle_beta   89.998
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   304.728
_cell_formula_units_Z   3
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  0.554  0.777  1.000  1.0
  Li  Li1  1  0.223  0.777  0.333  1.0
  Li  Li2  1  0.223  0.446  0.667  1.0
  Li  Li3  1  0.890  0.445  0.500  1.0
  Li  Li4  1  0.555  0.445  0.833  1.0
  Li  Li5  1  0.555  0.110  0.167  1.0
  Li  Li6  1  0.530  0.765  0.500  1.0
  Li  Li7  1  0.235  0.765  0.833  1.0
  Li  Li8  1  0.235  0.470  0.167  1.0
  Li  Li9  1  0.890  0.445  1.000  1.0
  Li  Li10  1  0.555  0.445  0.333  1.0
  Li  Li11  1  0.555  0.110  0.667  1.0
  Li  Li12  1  0.247  0.124  0.500  1.0
  Li  Li13  1  0.877  0.124  0.833  1.0
  Li  Li14  1  0.876  0.753  0.167  1.0
  Os  Os15  1  0.221  0.110  1.000  1.0
  Os  Os16  1  0.890  0.110  0.333  1.0
  Os  Os17  1  0.890  0.779  0.667  1.0
  O  O18  1  0.223  0.423  0.921  1.0
  O  O19  1  0.577  0.800  0.254  1.0
  O  O20  1  0.224  0.800  0.079  1.0
  O  O21  1  0.200  0.776  0.588  1.0
  O  O22  1  0.577  0.776  0.746  1.0
  O  O23  1  0.200  0.423  0.412  1.0
  O  O24  1  0.915  0.113  0.077  1.0
  O  O25  1  0.887  0.803  0.411  1.0
  O  O26  1  0.916  0.803  0.923  1.0
  O  O27  1  0.197  0.084  0.744  1.0
  O  O28  1  0.887  0.084  0.589  1.0
  O  O29  1  0.197  0.113  0.256  1.0
  O  O30  1  0.532  0.112  0.922  1.0
  O  O31  1  0.888  0.420  0.255  1.0
  O  O32  1  0.532  0.420  0.078  1.0
  O  O33  1  0.580  0.468  0.588  1.0
  O  O34  1  0.888  0.468  0.745  1.0
  O  O35  1  0.580  0.112  0.412  1.0
[/CIF]
.