The crystal structure described by LiCoSnO4 is Spinel-derived structured and crystallizes in the monoclinic C2/c space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra, corners with three equivalent Sn(1)O6 octahedra, and corners with three equivalent Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, and edges with two equivalent Sn(2)O6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, and edges with two equivalent Sn(2)O6 octahedra. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form SnO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Sn(2)O6 octahedra. In the second Sn site, Sn(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form SnO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. There are four inequivalent O sites. In the first O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Co(1), one Sn(1), and one Sn(2) atom. In the second O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(2), one Sn(1), and one Sn(2) atom. In the third O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(2), and one Sn(1) atom. In the fourth O site, O(2) is bonded to one Li(1), one Co(1), one Co(2), and one Sn(2) atom to form distorted corner-sharing OLiCo2Sn tetrahedra. is represented by the CIF file [CIF]
data_LiCoSnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.930
_cell_length_b   6.159
_cell_length_c   6.160
_cell_angle_alpha   91.277
_cell_angle_beta   118.767
_cell_angle_gamma   118.772
_symmetry_Int_Tables_number   1
_cell_volume   163.138
_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
  Co  Co0  1  1.000  0.500  0.000  1.0
  Co  Co1  1  0.500  0.500  0.000  1.0
  Li  Li2  1  0.251  0.124  0.377  1.0
  Li  Li3  1  0.749  0.876  0.623  1.0
  O  O4  1  0.463  0.724  0.201  1.0
  O  O5  1  0.038  0.300  0.777  1.0
  O  O6  1  0.962  0.700  0.223  1.0
  O  O7  1  0.537  0.276  0.799  1.0
  O  O8  1  0.484  0.743  0.757  1.0
  O  O9  1  0.015  0.743  0.757  1.0
  O  O10  1  0.985  0.257  0.243  1.0
  O  O11  1  0.516  0.257  0.243  1.0
  Sn  Sn12  1  0.500  1.000  1.000  1.0
  Sn  Sn13  1  0.000  0.500  0.500  1.0
[/CIF]
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The crystal structure described by LiCoSnO4 is Spinel-derived structured and crystallizes in the monoclinic C2/c space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra, corners with three equivalent Sn(1)O6 octahedra, and corners with three equivalent Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, and edges with two equivalent Sn(2)O6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, and edges with two equivalent Sn(2)O6 octahedra. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form SnO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Sn(2)O6 octahedra. In the second Sn site, Sn(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form SnO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. There are four inequivalent O sites. In the first O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Co(1), one Sn(1), and one Sn(2) atom. In the second O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(2), one Sn(1), and one Sn(2) atom. In the third O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(2), and one Sn(1) atom. In the fourth O site, O(2) is bonded to one Li(1), one Co(1), one Co(2), and one Sn(2) atom to form distorted corner-sharing OLiCo2Sn tetrahedra. is represented by the CIF file [CIF]
data_LiCoSnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.930
_cell_length_b   6.159
_cell_length_c   6.160
_cell_angle_alpha   91.277
_cell_angle_beta   118.767
_cell_angle_gamma   118.772
_symmetry_Int_Tables_number   1
_cell_volume   163.138
_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
  Co  Co0  1  1.000  0.500  0.000  1.0
  Co  Co1  1  0.500  0.500  0.000  1.0
  Li  Li2  1  0.251  0.124  0.377  1.0
  Li  Li3  1  0.749  0.876  0.623  1.0
  O  O4  1  0.463  0.724  0.201  1.0
  O  O5  1  0.038  0.300  0.777  1.0
  O  O6  1  0.962  0.700  0.223  1.0
  O  O7  1  0.537  0.276  0.799  1.0
  O  O8  1  0.484  0.743  0.757  1.0
  O  O9  1  0.015  0.743  0.757  1.0
  O  O10  1  0.985  0.257  0.243  1.0
  O  O11  1  0.516  0.257  0.243  1.0
  Sn  Sn12  1  0.500  1.000  1.000  1.0
  Sn  Sn13  1  0.000  0.500  0.500  1.0
[/CIF]
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