The structure described by Li3Cu4SnO8 crystallizes in the monoclinic C2/m space group. There are two 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 edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. In the second Li site, Li(2) is bonded in a distorted square co-planar geometry to two equivalent O(1) and four equivalent O(2) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to four equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form CuO6 octahedra that share edges with two equivalent Sn(1)O6 octahedra and edges with four equivalent Li(1)O6 octahedra. In the third Cu site, Cu(3) is bonded in a distorted square co-planar geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Sn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SnO6 octahedra that share edges with two equivalent Cu(2)O6 octahedra and edges with four equivalent Li(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), two equivalent Cu(3), and one Sn(1) atom to form distorted OLi3Cu2Sn octahedra that share corners with six equivalent O(1)Li3Cu2Sn octahedra and edges with four equivalent O(3)Li2Cu3 trigonal bipyramids. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Cu(1), one Cu(2), one Cu(3), and one Sn(1) atom. In the third O site, O(3) is bonded to two equivalent Li(1), one Cu(2), and two equivalent Cu(3) atoms to form distorted OLi2Cu3 trigonal bipyramids that share corners with five equivalent O(3)Li2Cu3 trigonal bipyramids and edges with four equivalent O(1)Li3Cu2Sn octahedra. is represented by the CIF card [CIF]
data_Li3Cu4SnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.247
_cell_length_b   6.247
_cell_length_c   5.827
_cell_angle_alpha   62.749
_cell_angle_beta   62.749
_cell_angle_gamma   55.478
_symmetry_Int_Tables_number   1
_cell_volume   160.359
_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  0.500  0.000  1.0
  Li  Li1  1  0.000  0.000  0.500  1.0
  Li  Li2  1  0.500  0.000  0.000  1.0
  Cu  Cu3  1  0.500  0.500  0.500  1.0
  Cu  Cu4  1  0.000  0.000  0.000  1.0
  Cu  Cu5  1  0.000  0.500  0.500  1.0
  Cu  Cu6  1  0.500  0.000  0.500  1.0
  Sn  Sn7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.274  0.274  0.256  1.0
  O  O9  1  0.241  0.709  0.759  1.0
  O  O10  1  0.709  0.241  0.759  1.0
  O  O11  1  0.796  0.796  0.242  1.0
  O  O12  1  0.204  0.204  0.758  1.0
  O  O13  1  0.291  0.759  0.241  1.0
  O  O14  1  0.759  0.291  0.241  1.0
  O  O15  1  0.726  0.726  0.744  1.0
[/CIF]
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The structure described by Li3Cu4SnO8 crystallizes in the monoclinic C2/m space group. There are two 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 edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. In the second Li site, Li(2) is bonded in a distorted square co-planar geometry to two equivalent O(1) and four equivalent O(2) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to four equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form CuO6 octahedra that share edges with two equivalent Sn(1)O6 octahedra and edges with four equivalent Li(1)O6 octahedra. In the third Cu site, Cu(3) is bonded in a distorted square co-planar geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Sn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SnO6 octahedra that share edges with two equivalent Cu(2)O6 octahedra and edges with four equivalent Li(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), two equivalent Cu(3), and one Sn(1) atom to form distorted OLi3Cu2Sn octahedra that share corners with six equivalent O(1)Li3Cu2Sn octahedra and edges with four equivalent O(3)Li2Cu3 trigonal bipyramids. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Cu(1), one Cu(2), one Cu(3), and one Sn(1) atom. In the third O site, O(3) is bonded to two equivalent Li(1), one Cu(2), and two equivalent Cu(3) atoms to form distorted OLi2Cu3 trigonal bipyramids that share corners with five equivalent O(3)Li2Cu3 trigonal bipyramids and edges with four equivalent O(1)Li3Cu2Sn octahedra. is represented by the CIF card [CIF]
data_Li3Cu4SnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.247
_cell_length_b   6.247
_cell_length_c   5.827
_cell_angle_alpha   62.749
_cell_angle_beta   62.749
_cell_angle_gamma   55.478
_symmetry_Int_Tables_number   1
_cell_volume   160.359
_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  0.500  0.000  1.0
  Li  Li1  1  0.000  0.000  0.500  1.0
  Li  Li2  1  0.500  0.000  0.000  1.0
  Cu  Cu3  1  0.500  0.500  0.500  1.0
  Cu  Cu4  1  0.000  0.000  0.000  1.0
  Cu  Cu5  1  0.000  0.500  0.500  1.0
  Cu  Cu6  1  0.500  0.000  0.500  1.0
  Sn  Sn7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.274  0.274  0.256  1.0
  O  O9  1  0.241  0.709  0.759  1.0
  O  O10  1  0.709  0.241  0.759  1.0
  O  O11  1  0.796  0.796  0.242  1.0
  O  O12  1  0.204  0.204  0.758  1.0
  O  O13  1  0.291  0.759  0.241  1.0
  O  O14  1  0.759  0.291  0.241  1.0
  O  O15  1  0.726  0.726  0.744  1.0
[/CIF]
.