The structure described by Li2FeSnO4 is alpha Po-derived structured and crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) 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(1)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the second Li site, Li(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. Fe(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. 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(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), one Fe(1), and two equivalent Sn(1) atoms to form OLi3FeSn2 octahedra that share corners with six equivalent O(1)Li3FeSn2 octahedra, edges with four equivalent O(1)Li3FeSn2 octahedra, and edges with eight equivalent O(2)Li3Fe2Sn octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), two equivalent Fe(1), and one Sn(1) atom to form OLi3Fe2Sn octahedra that share corners with six equivalent O(2)Li3Fe2Sn octahedra, edges with four equivalent O(2)Li3Fe2Sn octahedra, and edges with eight equivalent O(1)Li3FeSn2 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2FeSnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.157
_cell_length_b   6.163
_cell_length_c   6.164
_cell_angle_alpha   91.755
_cell_angle_beta   118.637
_cell_angle_gamma   118.644
_symmetry_Int_Tables_number   1
_cell_volume   169.568
_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  0.500  1.000  0.000  1.0
  Fe  Fe1  1  1.000  0.000  1.000  1.0
  Li  Li2  1  1.000  0.500  0.000  1.0
  Li  Li3  1  0.500  1.000  0.500  1.0
  Li  Li4  1  0.500  0.500  0.500  1.0
  Li  Li5  1  1.000  0.500  0.500  1.0
  O  O6  1  0.978  0.738  0.242  1.0
  O  O7  1  0.522  0.758  0.262  1.0
  O  O8  1  0.478  0.242  0.738  1.0
  O  O9  1  0.022  0.262  0.758  1.0
  O  O10  1  0.997  0.226  0.258  1.0
  O  O11  1  0.503  0.742  0.774  1.0
  O  O12  1  0.497  0.258  0.226  1.0
  O  O13  1  0.003  0.774  0.742  1.0
  Sn  Sn14  1  0.500  0.500  1.000  1.0
  Sn  Sn15  1  0.000  1.000  0.500  1.0
[/CIF]
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The structure described by Li2FeSnO4 is alpha Po-derived structured and crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) 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(1)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the second Li site, Li(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. Fe(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. 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(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), one Fe(1), and two equivalent Sn(1) atoms to form OLi3FeSn2 octahedra that share corners with six equivalent O(1)Li3FeSn2 octahedra, edges with four equivalent O(1)Li3FeSn2 octahedra, and edges with eight equivalent O(2)Li3Fe2Sn octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), two equivalent Fe(1), and one Sn(1) atom to form OLi3Fe2Sn octahedra that share corners with six equivalent O(2)Li3Fe2Sn octahedra, edges with four equivalent O(2)Li3Fe2Sn octahedra, and edges with eight equivalent O(1)Li3FeSn2 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2FeSnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.157
_cell_length_b   6.163
_cell_length_c   6.164
_cell_angle_alpha   91.755
_cell_angle_beta   118.637
_cell_angle_gamma   118.644
_symmetry_Int_Tables_number   1
_cell_volume   169.568
_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  0.500  1.000  0.000  1.0
  Fe  Fe1  1  1.000  0.000  1.000  1.0
  Li  Li2  1  1.000  0.500  0.000  1.0
  Li  Li3  1  0.500  1.000  0.500  1.0
  Li  Li4  1  0.500  0.500  0.500  1.0
  Li  Li5  1  1.000  0.500  0.500  1.0
  O  O6  1  0.978  0.738  0.242  1.0
  O  O7  1  0.522  0.758  0.262  1.0
  O  O8  1  0.478  0.242  0.738  1.0
  O  O9  1  0.022  0.262  0.758  1.0
  O  O10  1  0.997  0.226  0.258  1.0
  O  O11  1  0.503  0.742  0.774  1.0
  O  O12  1  0.497  0.258  0.226  1.0
  O  O13  1  0.003  0.774  0.742  1.0
  Sn  Sn14  1  0.500  0.500  1.000  1.0
  Sn  Sn15  1  0.000  1.000  0.500  1.0
[/CIF]
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