The structure described by LiFeSnO4 crystallizes in the orthorhombic Pmc2_1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(3), one O(4), and two equivalent O(1) atoms. Fe(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form distorted FeO6 octahedra that share corners with four equivalent Sn(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. Sn(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form SnO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), two equivalent Fe(1), and one Sn(1) atom to form distorted OLi2Fe2Sn square pyramids that share corners with two equivalent O(4)LiFeSn2 tetrahedra, corners with two equivalent O(3)LiFeSn2 trigonal pyramids, edges with two equivalent O(1)Li2Fe2Sn square pyramids, edges with two equivalent O(4)LiFeSn2 tetrahedra, and edges with two equivalent O(3)LiFeSn2 trigonal pyramids. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Fe(1) and one Sn(1) atom. In the third O site, O(3) is bonded to one Li(1), one Fe(1), and two equivalent Sn(1) atoms to form OLiFeSn2 trigonal pyramids that share corners with two equivalent O(1)Li2Fe2Sn square pyramids, corners with four equivalent O(4)LiFeSn2 tetrahedra, corners with two equivalent O(3)LiFeSn2 trigonal pyramids, edges with two equivalent O(1)Li2Fe2Sn square pyramids, and  an edgeedge with one O(4)LiFeSn2 tetrahedra. In the fourth O site, O(4) is bonded to one Li(1), one Fe(1), and two equivalent Sn(1) atoms to form distorted OLiFeSn2 tetrahedra that share corners with two equivalent O(1)Li2Fe2Sn square pyramids, corners with two equivalent O(4)LiFeSn2 tetrahedra, corners with four equivalent O(3)LiFeSn2 trigonal pyramids, edges with two equivalent O(1)Li2Fe2Sn square pyramids, and  an edgeedge with one O(3)LiFeSn2 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiFeSnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.116
_cell_length_b   5.186
_cell_length_c   9.916
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   160.215
_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
  Li  Li0  1  0.500  0.221  0.941  1.0
  Li  Li1  1  0.500  0.779  0.441  1.0
  Fe  Fe2  1  0.500  0.244  0.351  1.0
  Fe  Fe3  1  0.500  0.756  0.851  1.0
  Sn  Sn4  1  0.000  0.269  0.634  1.0
  Sn  Sn5  1  0.000  0.731  0.134  1.0
  O  O6  1  0.000  0.042  0.458  1.0
  O  O7  1  0.000  0.450  0.284  1.0
  O  O8  1  0.000  0.958  0.958  1.0
  O  O9  1  0.000  0.550  0.784  1.0
  O  O10  1  0.500  0.456  0.532  1.0
  O  O11  1  0.500  0.932  0.229  1.0
  O  O12  1  0.500  0.068  0.729  1.0
  O  O13  1  0.500  0.544  0.032  1.0
[/CIF]
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The structure described by LiFeSnO4 crystallizes in the orthorhombic Pmc2_1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(3), one O(4), and two equivalent O(1) atoms. Fe(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form distorted FeO6 octahedra that share corners with four equivalent Sn(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. Sn(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form SnO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), two equivalent Fe(1), and one Sn(1) atom to form distorted OLi2Fe2Sn square pyramids that share corners with two equivalent O(4)LiFeSn2 tetrahedra, corners with two equivalent O(3)LiFeSn2 trigonal pyramids, edges with two equivalent O(1)Li2Fe2Sn square pyramids, edges with two equivalent O(4)LiFeSn2 tetrahedra, and edges with two equivalent O(3)LiFeSn2 trigonal pyramids. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Fe(1) and one Sn(1) atom. In the third O site, O(3) is bonded to one Li(1), one Fe(1), and two equivalent Sn(1) atoms to form OLiFeSn2 trigonal pyramids that share corners with two equivalent O(1)Li2Fe2Sn square pyramids, corners with four equivalent O(4)LiFeSn2 tetrahedra, corners with two equivalent O(3)LiFeSn2 trigonal pyramids, edges with two equivalent O(1)Li2Fe2Sn square pyramids, and  an edgeedge with one O(4)LiFeSn2 tetrahedra. In the fourth O site, O(4) is bonded to one Li(1), one Fe(1), and two equivalent Sn(1) atoms to form distorted OLiFeSn2 tetrahedra that share corners with two equivalent O(1)Li2Fe2Sn square pyramids, corners with two equivalent O(4)LiFeSn2 tetrahedra, corners with four equivalent O(3)LiFeSn2 trigonal pyramids, edges with two equivalent O(1)Li2Fe2Sn square pyramids, and  an edgeedge with one O(3)LiFeSn2 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiFeSnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.116
_cell_length_b   5.186
_cell_length_c   9.916
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   160.215
_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
  Li  Li0  1  0.500  0.221  0.941  1.0
  Li  Li1  1  0.500  0.779  0.441  1.0
  Fe  Fe2  1  0.500  0.244  0.351  1.0
  Fe  Fe3  1  0.500  0.756  0.851  1.0
  Sn  Sn4  1  0.000  0.269  0.634  1.0
  Sn  Sn5  1  0.000  0.731  0.134  1.0
  O  O6  1  0.000  0.042  0.458  1.0
  O  O7  1  0.000  0.450  0.284  1.0
  O  O8  1  0.000  0.958  0.958  1.0
  O  O9  1  0.000  0.550  0.784  1.0
  O  O10  1  0.500  0.456  0.532  1.0
  O  O11  1  0.500  0.932  0.229  1.0
  O  O12  1  0.500  0.068  0.729  1.0
  O  O13  1  0.500  0.544  0.032  1.0
[/CIF]
.