The crystal structure described by Li8SiO6 crystallizes in the hexagonal P6_3cm space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with six equivalent Li(1)O4 tetrahedra, and edges with two equivalent Li(2)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(3) and three equivalent O(1) atoms to form LiO4 tetrahedra that share corners with three equivalent Li(2)O4 tetrahedra, corners with three equivalent Si(1)O4 tetrahedra, and edges with three equivalent Li(1)O4 tetrahedra. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(1), one O(2), and two equivalent O(3) atoms. Si(1) is bonded to one O(2) and three equivalent O(1) atoms to form SiO4 tetrahedra that share corners with six equivalent Li(1)O4 tetrahedra and corners with six equivalent Li(2)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), two equivalent Li(2), and one Si(1) atom to form corner-sharing OLi4Si trigonal bipyramids. In the second O site, O(2) is bonded in a 7-coordinate geometry to three equivalent Li(1), three equivalent Li(3), and one Si(1) atom. In the third O site, O(3) is bonded in a 7-coordinate geometry to one Li(2), three equivalent Li(1), and three equivalent Li(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li8SiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.375
_cell_length_b   5.375
_cell_length_c   10.539
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.997
_symmetry_Int_Tables_number   1
_cell_volume   263.707
_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  1.000  0.309  0.270  1.0
  Li  Li1  1  0.691  0.000  0.770  1.0
  Li  Li2  1  0.333  0.667  0.411  1.0
  Li  Li3  1  0.667  0.333  0.911  1.0
  Li  Li4  1  0.333  0.667  0.911  1.0
  Li  Li5  1  0.667  0.333  0.411  1.0
  Li  Li6  1  0.394  0.000  0.629  1.0
  Li  Li7  1  0.394  0.394  0.129  1.0
  Li  Li8  1  1.000  0.606  0.129  1.0
  Li  Li9  1  0.000  0.394  0.629  1.0
  Li  Li10  1  0.606  0.606  0.629  1.0
  Li  Li11  1  0.606  1.000  0.129  1.0
  Li  Li12  1  0.309  1.000  0.270  1.0
  Li  Li13  1  0.691  0.691  0.270  1.0
  Li  Li14  1  0.000  0.691  0.770  1.0
  Li  Li15  1  0.309  0.309  0.770  1.0
  Si  Si16  1  1.000  1.000  0.500  1.0
  Si  Si17  1  0.000  0.000  1.000  1.0
  O  O18  1  1.000  0.290  0.453  1.0
  O  O19  1  0.710  0.710  0.453  1.0
  O  O20  1  1.000  1.000  0.158  1.0
  O  O21  1  0.000  0.000  0.658  1.0
  O  O22  1  0.333  0.667  0.220  1.0
  O  O23  1  0.667  0.333  0.720  1.0
  O  O24  1  0.333  0.667  0.720  1.0
  O  O25  1  0.710  0.000  0.953  1.0
  O  O26  1  0.290  1.000  0.453  1.0
  O  O27  1  0.290  0.290  0.953  1.0
  O  O28  1  0.000  0.710  0.953  1.0
  O  O29  1  0.667  0.333  0.220  1.0
[/CIF]
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The crystal structure described by Li8SiO6 crystallizes in the hexagonal P6_3cm space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with six equivalent Li(1)O4 tetrahedra, and edges with two equivalent Li(2)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(3) and three equivalent O(1) atoms to form LiO4 tetrahedra that share corners with three equivalent Li(2)O4 tetrahedra, corners with three equivalent Si(1)O4 tetrahedra, and edges with three equivalent Li(1)O4 tetrahedra. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(1), one O(2), and two equivalent O(3) atoms. Si(1) is bonded to one O(2) and three equivalent O(1) atoms to form SiO4 tetrahedra that share corners with six equivalent Li(1)O4 tetrahedra and corners with six equivalent Li(2)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), two equivalent Li(2), and one Si(1) atom to form corner-sharing OLi4Si trigonal bipyramids. In the second O site, O(2) is bonded in a 7-coordinate geometry to three equivalent Li(1), three equivalent Li(3), and one Si(1) atom. In the third O site, O(3) is bonded in a 7-coordinate geometry to one Li(2), three equivalent Li(1), and three equivalent Li(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li8SiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.375
_cell_length_b   5.375
_cell_length_c   10.539
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.997
_symmetry_Int_Tables_number   1
_cell_volume   263.707
_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  1.000  0.309  0.270  1.0
  Li  Li1  1  0.691  0.000  0.770  1.0
  Li  Li2  1  0.333  0.667  0.411  1.0
  Li  Li3  1  0.667  0.333  0.911  1.0
  Li  Li4  1  0.333  0.667  0.911  1.0
  Li  Li5  1  0.667  0.333  0.411  1.0
  Li  Li6  1  0.394  0.000  0.629  1.0
  Li  Li7  1  0.394  0.394  0.129  1.0
  Li  Li8  1  1.000  0.606  0.129  1.0
  Li  Li9  1  0.000  0.394  0.629  1.0
  Li  Li10  1  0.606  0.606  0.629  1.0
  Li  Li11  1  0.606  1.000  0.129  1.0
  Li  Li12  1  0.309  1.000  0.270  1.0
  Li  Li13  1  0.691  0.691  0.270  1.0
  Li  Li14  1  0.000  0.691  0.770  1.0
  Li  Li15  1  0.309  0.309  0.770  1.0
  Si  Si16  1  1.000  1.000  0.500  1.0
  Si  Si17  1  0.000  0.000  1.000  1.0
  O  O18  1  1.000  0.290  0.453  1.0
  O  O19  1  0.710  0.710  0.453  1.0
  O  O20  1  1.000  1.000  0.158  1.0
  O  O21  1  0.000  0.000  0.658  1.0
  O  O22  1  0.333  0.667  0.220  1.0
  O  O23  1  0.667  0.333  0.720  1.0
  O  O24  1  0.333  0.667  0.720  1.0
  O  O25  1  0.710  0.000  0.953  1.0
  O  O26  1  0.290  1.000  0.453  1.0
  O  O27  1  0.290  0.290  0.953  1.0
  O  O28  1  0.000  0.710  0.953  1.0
  O  O29  1  0.667  0.333  0.220  1.0
[/CIF]
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