The material described by LiY2(FeO2)4 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted LiO6 octahedra that share corners with six equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. Y(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form FeO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Fe(3)O6 octahedra. In the second Fe site, Fe(2) 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)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the third Fe site, Fe(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Y(1), one Fe(1), one Fe(2), and one Fe(3) atom to form OLiYFe3 square pyramids that share corners with five equivalent O(1)LiYFe3 square pyramids, corners with three equivalent O(3)YFe3 tetrahedra, edges with three equivalent O(1)LiYFe3 square pyramids, and  an edgeedge with one O(3)YFe3 tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), one Y(1), one Fe(2), and two equivalent Fe(3) atoms. In the third O site, O(3) is bonded to one Y(1), one Fe(1), and two equivalent Fe(3) atoms to form OYFe3 tetrahedra that share corners with six equivalent O(1)LiYFe3 square pyramids, corners with three equivalent O(3)YFe3 tetrahedra, and edges with two equivalent O(1)LiYFe3 square pyramids. is represented by the CIF card [CIF]
data_LiY2(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.681
_cell_length_b   6.627
_cell_length_c   6.670
_cell_angle_alpha   55.658
_cell_angle_beta   54.290
_cell_angle_gamma   55.564
_symmetry_Int_Tables_number   1
_cell_volume   185.299
_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  0.500  0.500  0.500  1.0
  Y  Y1  1  0.653  0.647  0.654  1.0
  Y  Y2  1  0.347  0.353  0.346  1.0
  Fe  Fe3  1  0.000  0.500  0.000  1.0
  Fe  Fe4  1  0.000  0.000  0.000  1.0
  Fe  Fe5  1  0.500  0.000  0.000  1.0
  Fe  Fe6  1  0.000  0.000  0.500  1.0
  O  O7  1  0.246  0.723  0.760  1.0
  O  O8  1  0.240  0.277  0.754  1.0
  O  O9  1  0.227  0.765  0.226  1.0
  O  O10  1  0.218  0.227  0.218  1.0
  O  O11  1  0.760  0.723  0.246  1.0
  O  O12  1  0.754  0.277  0.240  1.0
  O  O13  1  0.773  0.235  0.774  1.0
  O  O14  1  0.782  0.773  0.782  1.0
[/CIF]
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The material described by LiY2(FeO2)4 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted LiO6 octahedra that share corners with six equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. Y(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form FeO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with four equivalent Fe(3)O6 octahedra. In the second Fe site, Fe(2) 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)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with four equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the third Fe site, Fe(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Y(1), one Fe(1), one Fe(2), and one Fe(3) atom to form OLiYFe3 square pyramids that share corners with five equivalent O(1)LiYFe3 square pyramids, corners with three equivalent O(3)YFe3 tetrahedra, edges with three equivalent O(1)LiYFe3 square pyramids, and  an edgeedge with one O(3)YFe3 tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), one Y(1), one Fe(2), and two equivalent Fe(3) atoms. In the third O site, O(3) is bonded to one Y(1), one Fe(1), and two equivalent Fe(3) atoms to form OYFe3 tetrahedra that share corners with six equivalent O(1)LiYFe3 square pyramids, corners with three equivalent O(3)YFe3 tetrahedra, and edges with two equivalent O(1)LiYFe3 square pyramids. is represented by the CIF card [CIF]
data_LiY2(FeO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.681
_cell_length_b   6.627
_cell_length_c   6.670
_cell_angle_alpha   55.658
_cell_angle_beta   54.290
_cell_angle_gamma   55.564
_symmetry_Int_Tables_number   1
_cell_volume   185.299
_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  0.500  0.500  0.500  1.0
  Y  Y1  1  0.653  0.647  0.654  1.0
  Y  Y2  1  0.347  0.353  0.346  1.0
  Fe  Fe3  1  0.000  0.500  0.000  1.0
  Fe  Fe4  1  0.000  0.000  0.000  1.0
  Fe  Fe5  1  0.500  0.000  0.000  1.0
  Fe  Fe6  1  0.000  0.000  0.500  1.0
  O  O7  1  0.246  0.723  0.760  1.0
  O  O8  1  0.240  0.277  0.754  1.0
  O  O9  1  0.227  0.765  0.226  1.0
  O  O10  1  0.218  0.227  0.218  1.0
  O  O11  1  0.760  0.723  0.246  1.0
  O  O12  1  0.754  0.277  0.240  1.0
  O  O13  1  0.773  0.235  0.774  1.0
  O  O14  1  0.782  0.773  0.782  1.0
[/CIF]
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