The material structure described by Li2CuSnO4 crystallizes in the monoclinic P2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent Cu(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. 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 six equivalent Sn(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. Cu(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted CuO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. Sn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form SnO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(2), one Cu(1), and two equivalent Sn(1) atoms to form distorted OLi3CuSn2 octahedra that share corners with six equivalent O(1)Li3CuSn2 octahedra, edges with four equivalent O(1)Li3CuSn2 octahedra, and edges with eight equivalent O(2)Li3Cu2Sn octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(1), two equivalent Cu(1), and one Sn(1) atom to form OLi3Cu2Sn octahedra that share corners with six equivalent O(2)Li3Cu2Sn octahedra, edges with four equivalent O(2)Li3Cu2Sn octahedra, and edges with eight equivalent O(1)Li3CuSn2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Li2CuSnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.017
_cell_length_b   5.418
_cell_length_c   5.541
_cell_angle_alpha   65.858
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   82.658
_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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.500  0.000  0.500  1.0
  Cu  Cu2  1  0.000  0.500  0.500  1.0
  Sn  Sn3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.000  0.236  0.221  1.0
  O  O5  1  0.500  0.297  0.746  1.0
  O  O6  1  0.000  0.764  0.779  1.0
  O  O7  1  0.500  0.703  0.254  1.0
[/CIF]
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The material structure described by Li2CuSnO4 crystallizes in the monoclinic P2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent Cu(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. 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 six equivalent Sn(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. Cu(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted CuO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. Sn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form SnO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(2), one Cu(1), and two equivalent Sn(1) atoms to form distorted OLi3CuSn2 octahedra that share corners with six equivalent O(1)Li3CuSn2 octahedra, edges with four equivalent O(1)Li3CuSn2 octahedra, and edges with eight equivalent O(2)Li3Cu2Sn octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(1), two equivalent Cu(1), and one Sn(1) atom to form OLi3Cu2Sn octahedra that share corners with six equivalent O(2)Li3Cu2Sn octahedra, edges with four equivalent O(2)Li3Cu2Sn octahedra, and edges with eight equivalent O(1)Li3CuSn2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Li2CuSnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.017
_cell_length_b   5.418
_cell_length_c   5.541
_cell_angle_alpha   65.858
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   82.658
_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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.500  0.000  0.500  1.0
  Cu  Cu2  1  0.000  0.500  0.500  1.0
  Sn  Sn3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.000  0.236  0.221  1.0
  O  O5  1  0.500  0.297  0.746  1.0
  O  O6  1  0.000  0.764  0.779  1.0
  O  O7  1  0.500  0.703  0.254  1.0
[/CIF]
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