The material described by Li3Fe3(SnO5)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), one O(5), and two equivalent O(3) atoms to form LiO5 square pyramids that share corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Sn(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 5-81°. In the second Li site, Li(2) is bonded in a distorted square co-planar geometry to two equivalent O(3) and two equivalent O(5) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, edges with four equivalent Fe(2)O6 octahedra, and edges with two equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 11-18°. In the second Fe site, Fe(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with three equivalent Sn(1)O6 octahedra, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles are 18°. Sn(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form SnO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with three equivalent Li(1)O5 square pyramids,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Sn(1)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, and edges with two equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles are 11°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Fe(1), two equivalent Fe(2), and one Sn(1) atom to form OLiFe3Sn square pyramids that share  a cornercorner with one O(1)LiFe3Sn square pyramid, corners with two equivalent O(3)Li3Sn2 square pyramids, corners with two equivalent O(5)Li2FeSn trigonal pyramids,  an edgeedge with one O(3)Li3Sn2 square pyramid,  an edgeedge with one O(1)LiFe3Sn square pyramid, and  an edgeedge with one O(5)Li2FeSn trigonal pyramid. In the second O site, O(2) is bonded in a see-saw-like geometry to one Fe(1), two equivalent Fe(2), and one Sn(1) atom. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), and two equivalent Sn(1) atoms to form OLi3Sn2 square pyramids that share  a cornercorner with one O(3)Li3Sn2 square pyramid, corners with two equivalent O(1)LiFe3Sn square pyramids, corners with two equivalent O(5)Li2FeSn trigonal pyramids,  an edgeedge with one O(1)LiFe3Sn square pyramid, edges with two equivalent O(3)Li3Sn2 square pyramids, and edges with two equivalent O(5)Li2FeSn trigonal pyramids. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Fe(1), one Fe(2), and one Sn(1) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Fe(2), and one Sn(1) atom to form distorted OLi2FeSn trigonal pyramids that share corners with two equivalent O(3)Li3Sn2 square pyramids, corners with two equivalent O(1)LiFe3Sn square pyramids,  a cornercorner with one O(5)Li2FeSn trigonal pyramid,  an edgeedge with one O(1)LiFe3Sn square pyramid, and edges with two equivalent O(3)Li3Sn2 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Fe3(SnO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.215
_cell_length_b   5.351
_cell_length_c   8.142
_cell_angle_alpha   74.422
_cell_angle_beta   74.874
_cell_angle_gamma   77.256
_symmetry_Int_Tables_number   1
_cell_volume   208.484
_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  0.530  0.795  0.387  1.0
  Li  Li1  1  0.000  0.500  0.500  1.0
  Li  Li2  1  0.470  0.205  0.613  1.0
  Fe  Fe3  1  0.500  0.000  0.000  1.0
  Fe  Fe4  1  0.030  0.689  0.104  1.0
  Fe  Fe5  1  0.970  0.311  0.896  1.0
  Sn  Sn6  1  0.012  0.880  0.697  1.0
  Sn  Sn7  1  0.988  0.120  0.303  1.0
  O  O8  1  0.229  0.955  0.868  1.0
  O  O9  1  0.790  0.679  0.940  1.0
  O  O10  1  0.772  0.895  0.520  1.0
  O  O11  1  0.268  0.802  0.219  1.0
  O  O12  1  0.184  0.505  0.679  1.0
  O  O13  1  0.816  0.495  0.321  1.0
  O  O14  1  0.732  0.198  0.781  1.0
  O  O15  1  0.228  0.105  0.480  1.0
  O  O16  1  0.210  0.321  0.060  1.0
  O  O17  1  0.771  0.045  0.132  1.0
[/CIF]
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The material described by Li3Fe3(SnO5)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), one O(5), and two equivalent O(3) atoms to form LiO5 square pyramids that share corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Sn(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 5-81°. In the second Li site, Li(2) is bonded in a distorted square co-planar geometry to two equivalent O(3) and two equivalent O(5) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Sn(1)O6 octahedra, edges with two equivalent Sn(1)O6 octahedra, edges with four equivalent Fe(2)O6 octahedra, and edges with two equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 11-18°. In the second Fe site, Fe(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with three equivalent Sn(1)O6 octahedra, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles are 18°. Sn(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form SnO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with three equivalent Li(1)O5 square pyramids,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Sn(1)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, and edges with two equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles are 11°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Fe(1), two equivalent Fe(2), and one Sn(1) atom to form OLiFe3Sn square pyramids that share  a cornercorner with one O(1)LiFe3Sn square pyramid, corners with two equivalent O(3)Li3Sn2 square pyramids, corners with two equivalent O(5)Li2FeSn trigonal pyramids,  an edgeedge with one O(3)Li3Sn2 square pyramid,  an edgeedge with one O(1)LiFe3Sn square pyramid, and  an edgeedge with one O(5)Li2FeSn trigonal pyramid. In the second O site, O(2) is bonded in a see-saw-like geometry to one Fe(1), two equivalent Fe(2), and one Sn(1) atom. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), and two equivalent Sn(1) atoms to form OLi3Sn2 square pyramids that share  a cornercorner with one O(3)Li3Sn2 square pyramid, corners with two equivalent O(1)LiFe3Sn square pyramids, corners with two equivalent O(5)Li2FeSn trigonal pyramids,  an edgeedge with one O(1)LiFe3Sn square pyramid, edges with two equivalent O(3)Li3Sn2 square pyramids, and edges with two equivalent O(5)Li2FeSn trigonal pyramids. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Fe(1), one Fe(2), and one Sn(1) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Fe(2), and one Sn(1) atom to form distorted OLi2FeSn trigonal pyramids that share corners with two equivalent O(3)Li3Sn2 square pyramids, corners with two equivalent O(1)LiFe3Sn square pyramids,  a cornercorner with one O(5)Li2FeSn trigonal pyramid,  an edgeedge with one O(1)LiFe3Sn square pyramid, and edges with two equivalent O(3)Li3Sn2 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Fe3(SnO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.215
_cell_length_b   5.351
_cell_length_c   8.142
_cell_angle_alpha   74.422
_cell_angle_beta   74.874
_cell_angle_gamma   77.256
_symmetry_Int_Tables_number   1
_cell_volume   208.484
_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  0.530  0.795  0.387  1.0
  Li  Li1  1  0.000  0.500  0.500  1.0
  Li  Li2  1  0.470  0.205  0.613  1.0
  Fe  Fe3  1  0.500  0.000  0.000  1.0
  Fe  Fe4  1  0.030  0.689  0.104  1.0
  Fe  Fe5  1  0.970  0.311  0.896  1.0
  Sn  Sn6  1  0.012  0.880  0.697  1.0
  Sn  Sn7  1  0.988  0.120  0.303  1.0
  O  O8  1  0.229  0.955  0.868  1.0
  O  O9  1  0.790  0.679  0.940  1.0
  O  O10  1  0.772  0.895  0.520  1.0
  O  O11  1  0.268  0.802  0.219  1.0
  O  O12  1  0.184  0.505  0.679  1.0
  O  O13  1  0.816  0.495  0.321  1.0
  O  O14  1  0.732  0.198  0.781  1.0
  O  O15  1  0.228  0.105  0.480  1.0
  O  O16  1  0.210  0.321  0.060  1.0
  O  O17  1  0.771  0.045  0.132  1.0
[/CIF]
.