The structure described by Li2Fe2S3 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form distorted LiS4 trigonal pyramids that share corners with six equivalent Fe(1)S4 tetrahedra, corners with six equivalent Li(1)S4 trigonal pyramids, edges with two equivalent Fe(1)S4 tetrahedra, and  an edgeedge with one Li(1)S4 trigonal pyramid. Fe(1) is bonded to one S(1) and three equivalent S(2) atoms to form distorted FeS4 tetrahedra that share corners with five equivalent Fe(1)S4 tetrahedra, corners with six equivalent Li(1)S4 trigonal pyramids,  an edgeedge with one Fe(1)S4 tetrahedra, and edges with two equivalent Li(1)S4 trigonal pyramids. There are two inequivalent S sites. In the first S site, S(1) is bonded to four equivalent Li(1) and two equivalent Fe(1) atoms to form corner-sharing SLi4Fe2 octahedra. The corner-sharing octahedral tilt angles are 44°. In the second S site, S(2) is bonded in a distorted pentagonal planar geometry to two equivalent Li(1) and three equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_Li2Fe2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.562
_cell_length_b   6.409
_cell_length_c   6.604
_cell_angle_alpha   64.395
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   250.431
_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  0.339  0.127  0.070  1.0
  Li  Li1  1  0.161  0.627  0.070  1.0
  Li  Li2  1  0.839  0.373  0.930  1.0
  Li  Li3  1  0.661  0.873  0.930  1.0
  Fe  Fe4  1  0.614  0.443  0.352  1.0
  Fe  Fe5  1  0.114  0.057  0.648  1.0
  Fe  Fe6  1  0.886  0.943  0.352  1.0
  Fe  Fe7  1  0.386  0.557  0.648  1.0
  S  S8  1  0.500  0.500  0.000  1.0
  S  S9  1  0.000  0.000  0.000  1.0
  S  S10  1  0.943  0.315  0.334  1.0
  S  S11  1  0.443  0.185  0.666  1.0
  S  S12  1  0.557  0.815  0.334  1.0
  S  S13  1  0.057  0.685  0.666  1.0
[/CIF]
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The structure described by Li2Fe2S3 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form distorted LiS4 trigonal pyramids that share corners with six equivalent Fe(1)S4 tetrahedra, corners with six equivalent Li(1)S4 trigonal pyramids, edges with two equivalent Fe(1)S4 tetrahedra, and  an edgeedge with one Li(1)S4 trigonal pyramid. Fe(1) is bonded to one S(1) and three equivalent S(2) atoms to form distorted FeS4 tetrahedra that share corners with five equivalent Fe(1)S4 tetrahedra, corners with six equivalent Li(1)S4 trigonal pyramids,  an edgeedge with one Fe(1)S4 tetrahedra, and edges with two equivalent Li(1)S4 trigonal pyramids. There are two inequivalent S sites. In the first S site, S(1) is bonded to four equivalent Li(1) and two equivalent Fe(1) atoms to form corner-sharing SLi4Fe2 octahedra. The corner-sharing octahedral tilt angles are 44°. In the second S site, S(2) is bonded in a distorted pentagonal planar geometry to two equivalent Li(1) and three equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_Li2Fe2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.562
_cell_length_b   6.409
_cell_length_c   6.604
_cell_angle_alpha   64.395
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   250.431
_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  0.339  0.127  0.070  1.0
  Li  Li1  1  0.161  0.627  0.070  1.0
  Li  Li2  1  0.839  0.373  0.930  1.0
  Li  Li3  1  0.661  0.873  0.930  1.0
  Fe  Fe4  1  0.614  0.443  0.352  1.0
  Fe  Fe5  1  0.114  0.057  0.648  1.0
  Fe  Fe6  1  0.886  0.943  0.352  1.0
  Fe  Fe7  1  0.386  0.557  0.648  1.0
  S  S8  1  0.500  0.500  0.000  1.0
  S  S9  1  0.000  0.000  0.000  1.0
  S  S10  1  0.943  0.315  0.334  1.0
  S  S11  1  0.443  0.185  0.666  1.0
  S  S12  1  0.557  0.815  0.334  1.0
  S  S13  1  0.057  0.685  0.666  1.0
[/CIF]
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