The material structure described by LiFeSnO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with six equivalent Fe(1)O6 octahedra and corners with six equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-61°. Fe(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. Sn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SnO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Sn(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Fe(1), and one Sn(1) atom to form distorted OLiFe2Sn trigonal pyramids that share corners with six equivalent O(1)LiFe2Sn trigonal pyramids, corners with six equivalent O(2)LiFeSn2 trigonal pyramids,  an edgeedge with one O(1)LiFe2Sn trigonal pyramid, and edges with two equivalent O(2)LiFeSn2 trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), one Fe(1), and two equivalent Sn(1) atoms to form distorted OLiFeSn2 trigonal pyramids that share corners with six equivalent O(1)LiFe2Sn trigonal pyramids, corners with six equivalent O(2)LiFeSn2 trigonal pyramids,  an edgeedge with one O(2)LiFeSn2 trigonal pyramid, and edges with two equivalent O(1)LiFe2Sn trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiFeSnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.069
_cell_length_b   6.190
_cell_length_c   6.190
_cell_angle_alpha   61.358
_cell_angle_beta   60.642
_cell_angle_gamma   60.642
_symmetry_Int_Tables_number   1
_cell_volume   167.666
_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
  Fe  Fe0  1  1.000  0.000  0.500  1.0
  Fe  Fe1  1  0.500  1.000  0.500  1.0
  Li  Li2  1  0.872  0.378  0.878  1.0
  Li  Li3  1  0.128  0.622  0.122  1.0
  O  O4  1  0.738  0.791  0.733  1.0
  O  O5  1  0.738  0.233  0.291  1.0
  O  O6  1  0.262  0.767  0.709  1.0
  O  O7  1  0.262  0.209  0.267  1.0
  O  O8  1  0.743  0.239  0.739  1.0
  O  O9  1  0.278  0.239  0.739  1.0
  O  O10  1  0.257  0.761  0.261  1.0
  O  O11  1  0.722  0.761  0.261  1.0
  Sn  Sn12  1  0.500  0.000  0.000  1.0
  Sn  Sn13  1  0.500  0.500  0.500  1.0
[/CIF]
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The material structure described by LiFeSnO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with six equivalent Fe(1)O6 octahedra and corners with six equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-61°. Fe(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. Sn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SnO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Sn(1)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Fe(1), and one Sn(1) atom to form distorted OLiFe2Sn trigonal pyramids that share corners with six equivalent O(1)LiFe2Sn trigonal pyramids, corners with six equivalent O(2)LiFeSn2 trigonal pyramids,  an edgeedge with one O(1)LiFe2Sn trigonal pyramid, and edges with two equivalent O(2)LiFeSn2 trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), one Fe(1), and two equivalent Sn(1) atoms to form distorted OLiFeSn2 trigonal pyramids that share corners with six equivalent O(1)LiFe2Sn trigonal pyramids, corners with six equivalent O(2)LiFeSn2 trigonal pyramids,  an edgeedge with one O(2)LiFeSn2 trigonal pyramid, and edges with two equivalent O(1)LiFe2Sn trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiFeSnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.069
_cell_length_b   6.190
_cell_length_c   6.190
_cell_angle_alpha   61.358
_cell_angle_beta   60.642
_cell_angle_gamma   60.642
_symmetry_Int_Tables_number   1
_cell_volume   167.666
_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
  Fe  Fe0  1  1.000  0.000  0.500  1.0
  Fe  Fe1  1  0.500  1.000  0.500  1.0
  Li  Li2  1  0.872  0.378  0.878  1.0
  Li  Li3  1  0.128  0.622  0.122  1.0
  O  O4  1  0.738  0.791  0.733  1.0
  O  O5  1  0.738  0.233  0.291  1.0
  O  O6  1  0.262  0.767  0.709  1.0
  O  O7  1  0.262  0.209  0.267  1.0
  O  O8  1  0.743  0.239  0.739  1.0
  O  O9  1  0.278  0.239  0.739  1.0
  O  O10  1  0.257  0.761  0.261  1.0
  O  O11  1  0.722  0.761  0.261  1.0
  Sn  Sn12  1  0.500  0.000  0.000  1.0
  Sn  Sn13  1  0.500  0.500  0.500  1.0
[/CIF]
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