The crystal structure described by Li2CoSnO4 is Caswellsilverite-derived structured and crystallizes in the orthorhombic C222 space group. There are three 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 Co(1)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, edges with two equivalent Sn(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the second Li site, Li(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with two equivalent Sn(1)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, edges with two equivalent Sn(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the third Li site, Li(3) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with two equivalent Sn(2)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, edges with two equivalent Sn(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. 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 two equivalent Li(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, edges with two equivalent Sn(2)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form SnO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Sn(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second Sn site, Sn(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form SnO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Sn(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. 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 Co(1), one Sn(1), and one Sn(2) atom to form OLi3CoSn2 octahedra that share corners with six equivalent O(1)Li3CoSn2 octahedra, edges with four equivalent O(2)Li3Co2Sn octahedra, edges with four equivalent O(3)Li3Co2Sn octahedra, and edges with four equivalent O(1)Li3CoSn2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(1), two equivalent Co(1), and one Sn(1) atom to form OLi3Co2Sn octahedra that share corners with two equivalent O(2)Li3Co2Sn octahedra, corners with four equivalent O(3)Li3Co2Sn octahedra, edges with two equivalent O(2)Li3Co2Sn octahedra, edges with two equivalent O(3)Li3Co2Sn octahedra, and edges with eight equivalent O(1)Li3CoSn2 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the third O site, O(3) is bonded to one Li(3), two equivalent Li(1), two equivalent Co(1), and one Sn(2) atom to form OLi3Co2Sn octahedra that share corners with two equivalent O(3)Li3Co2Sn octahedra, corners with four equivalent O(2)Li3Co2Sn octahedra, edges with two equivalent O(2)Li3Co2Sn octahedra, edges with two equivalent O(3)Li3Co2Sn octahedra, and edges with eight equivalent O(1)Li3CoSn2 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. is represented by the CIF card [CIF]
data_Li2CoSnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.215
_cell_length_b   4.215
_cell_length_c   5.439
_cell_angle_alpha   112.801
_cell_angle_beta   112.800
_cell_angle_gamma   89.988
_symmetry_Int_Tables_number   1
_cell_volume   80.821
_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
  Co  Co0  1  0.750  0.250  0.500  1.0
  Li  Li1  1  0.250  0.750  0.500  1.0
  Li  Li2  1  0.500  0.500  0.000  1.0
  O  O3  1  0.507  0.007  0.014  1.0
  O  O4  1  0.993  0.493  0.986  1.0
  O  O5  1  0.226  0.226  0.453  1.0
  O  O6  1  0.774  0.774  0.547  1.0
  Sn  Sn7  1  1.000  0.000  0.000  1.0
[/CIF]
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The crystal structure described by Li2CoSnO4 is Caswellsilverite-derived structured and crystallizes in the orthorhombic C222 space group. There are three 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 Co(1)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, edges with two equivalent Sn(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the second Li site, Li(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with two equivalent Sn(1)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, edges with two equivalent Sn(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the third Li site, Li(3) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with two equivalent Sn(2)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, edges with two equivalent Sn(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. 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 two equivalent Li(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, edges with two equivalent Sn(2)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form SnO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Sn(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second Sn site, Sn(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form SnO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Sn(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. 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 Co(1), one Sn(1), and one Sn(2) atom to form OLi3CoSn2 octahedra that share corners with six equivalent O(1)Li3CoSn2 octahedra, edges with four equivalent O(2)Li3Co2Sn octahedra, edges with four equivalent O(3)Li3Co2Sn octahedra, and edges with four equivalent O(1)Li3CoSn2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(1), two equivalent Co(1), and one Sn(1) atom to form OLi3Co2Sn octahedra that share corners with two equivalent O(2)Li3Co2Sn octahedra, corners with four equivalent O(3)Li3Co2Sn octahedra, edges with two equivalent O(2)Li3Co2Sn octahedra, edges with two equivalent O(3)Li3Co2Sn octahedra, and edges with eight equivalent O(1)Li3CoSn2 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the third O site, O(3) is bonded to one Li(3), two equivalent Li(1), two equivalent Co(1), and one Sn(2) atom to form OLi3Co2Sn octahedra that share corners with two equivalent O(3)Li3Co2Sn octahedra, corners with four equivalent O(2)Li3Co2Sn octahedra, edges with two equivalent O(2)Li3Co2Sn octahedra, edges with two equivalent O(3)Li3Co2Sn octahedra, and edges with eight equivalent O(1)Li3CoSn2 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. is represented by the CIF card [CIF]
data_Li2CoSnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.215
_cell_length_b   4.215
_cell_length_c   5.439
_cell_angle_alpha   112.801
_cell_angle_beta   112.800
_cell_angle_gamma   89.988
_symmetry_Int_Tables_number   1
_cell_volume   80.821
_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
  Co  Co0  1  0.750  0.250  0.500  1.0
  Li  Li1  1  0.250  0.750  0.500  1.0
  Li  Li2  1  0.500  0.500  0.000  1.0
  O  O3  1  0.507  0.007  0.014  1.0
  O  O4  1  0.993  0.493  0.986  1.0
  O  O5  1  0.226  0.226  0.453  1.0
  O  O6  1  0.774  0.774  0.547  1.0
  Sn  Sn7  1  1.000  0.000  0.000  1.0
[/CIF]
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