The material described by Li2Co3SnO8 is Spinel-derived structured and crystallizes in the trigonal R3m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1) and three equivalent O(2) atoms to form LiO4 tetrahedra that share corners with three equivalent Li(2)O6 octahedra and corners with nine equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. In the second Li site, Li(2) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form LiO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Sn(1)O4 tetrahedra, and edges with six equivalent Co(1)O6 octahedra. Co(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Sn(1)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. Sn(1) is bonded to one O(4) and three equivalent O(3) atoms to form SnO4 tetrahedra that share corners with three equivalent Li(2)O6 octahedra and corners with nine equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-63°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1) and three equivalent Co(1) atoms to form distorted OLiCo3 trigonal pyramids that share corners with three equivalent O(4)Co3Sn tetrahedra and corners with six equivalent O(3)LiCo2Sn tetrahedra. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), and two equivalent Co(1) atoms. In the third O site, O(3) is bonded to one Li(2), two equivalent Co(1), and one Sn(1) atom to form OLiCo2Sn tetrahedra that share  a cornercorner with one O(4)Co3Sn tetrahedra, corners with two equivalent O(3)LiCo2Sn tetrahedra, corners with two equivalent O(1)LiCo3 trigonal pyramids,  an edgeedge with one O(4)Co3Sn tetrahedra, and edges with two equivalent O(3)LiCo2Sn tetrahedra. In the fourth O site, O(4) is bonded to three equivalent Co(1) and one Sn(1) atom to form distorted OCo3Sn tetrahedra that share corners with three equivalent O(3)LiCo2Sn tetrahedra, corners with three equivalent O(1)LiCo3 trigonal pyramids, and edges with three equivalent O(3)LiCo2Sn tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Co3SnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.798
_cell_length_b   5.798
_cell_length_c   5.798
_cell_angle_alpha   60.477
_cell_angle_beta   60.477
_cell_angle_gamma   60.477
_symmetry_Int_Tables_number   1
_cell_volume   139.278
_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  0.880  0.880  0.880  1.0
  Li  Li1  1  0.505  0.505  0.505  1.0
  Co  Co2  1  0.503  0.986  0.503  1.0
  Co  Co3  1  0.986  0.503  0.503  1.0
  Co  Co4  1  0.503  0.503  0.986  1.0
  Sn  Sn5  1  0.113  0.113  0.113  1.0
  O  O6  1  0.735  0.735  0.735  1.0
  O  O7  1  0.753  0.753  0.290  1.0
  O  O8  1  0.290  0.753  0.753  1.0
  O  O9  1  0.753  0.290  0.753  1.0
  O  O10  1  0.261  0.701  0.261  1.0
  O  O11  1  0.701  0.261  0.261  1.0
  O  O12  1  0.261  0.261  0.701  1.0
  O  O13  1  0.258  0.258  0.258  1.0
[/CIF]
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The material described by Li2Co3SnO8 is Spinel-derived structured and crystallizes in the trigonal R3m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1) and three equivalent O(2) atoms to form LiO4 tetrahedra that share corners with three equivalent Li(2)O6 octahedra and corners with nine equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. In the second Li site, Li(2) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form LiO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Sn(1)O4 tetrahedra, and edges with six equivalent Co(1)O6 octahedra. Co(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Sn(1)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. Sn(1) is bonded to one O(4) and three equivalent O(3) atoms to form SnO4 tetrahedra that share corners with three equivalent Li(2)O6 octahedra and corners with nine equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-63°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1) and three equivalent Co(1) atoms to form distorted OLiCo3 trigonal pyramids that share corners with three equivalent O(4)Co3Sn tetrahedra and corners with six equivalent O(3)LiCo2Sn tetrahedra. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), and two equivalent Co(1) atoms. In the third O site, O(3) is bonded to one Li(2), two equivalent Co(1), and one Sn(1) atom to form OLiCo2Sn tetrahedra that share  a cornercorner with one O(4)Co3Sn tetrahedra, corners with two equivalent O(3)LiCo2Sn tetrahedra, corners with two equivalent O(1)LiCo3 trigonal pyramids,  an edgeedge with one O(4)Co3Sn tetrahedra, and edges with two equivalent O(3)LiCo2Sn tetrahedra. In the fourth O site, O(4) is bonded to three equivalent Co(1) and one Sn(1) atom to form distorted OCo3Sn tetrahedra that share corners with three equivalent O(3)LiCo2Sn tetrahedra, corners with three equivalent O(1)LiCo3 trigonal pyramids, and edges with three equivalent O(3)LiCo2Sn tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Co3SnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.798
_cell_length_b   5.798
_cell_length_c   5.798
_cell_angle_alpha   60.477
_cell_angle_beta   60.477
_cell_angle_gamma   60.477
_symmetry_Int_Tables_number   1
_cell_volume   139.278
_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  0.880  0.880  0.880  1.0
  Li  Li1  1  0.505  0.505  0.505  1.0
  Co  Co2  1  0.503  0.986  0.503  1.0
  Co  Co3  1  0.986  0.503  0.503  1.0
  Co  Co4  1  0.503  0.503  0.986  1.0
  Sn  Sn5  1  0.113  0.113  0.113  1.0
  O  O6  1  0.735  0.735  0.735  1.0
  O  O7  1  0.753  0.753  0.290  1.0
  O  O8  1  0.290  0.753  0.753  1.0
  O  O9  1  0.753  0.290  0.753  1.0
  O  O10  1  0.261  0.701  0.261  1.0
  O  O11  1  0.701  0.261  0.261  1.0
  O  O12  1  0.261  0.261  0.701  1.0
  O  O13  1  0.258  0.258  0.258  1.0
[/CIF]
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