The compound described by LiZn(Fe5O8)2 is Spinel-derived structured and crystallizes in the trigonal R3m space group. Li(1) is bonded to one O(7) and three equivalent O(3) atoms to form LiO4 tetrahedra that share corners with three equivalent Fe(5)O6 octahedra, corners with three equivalent Fe(6)O6 octahedra, and corners with six equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(4) and three equivalent O(8) atoms to form FeO4 tetrahedra that share corners with three equivalent Fe(3)O6 octahedra, corners with three equivalent Zn(1)O6 octahedra, and corners with six equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-58°. In the second Fe site, Fe(2) is bonded to one O(6) and three equivalent O(1) atoms to form FeO4 tetrahedra that share corners with three equivalent Fe(5)O6 octahedra, corners with three equivalent Zn(1)O6 octahedra, and corners with six equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-57°. In the third Fe site, Fe(3) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Zn(1)O6 octahedra, and edges with four equivalent Fe(3)O6 octahedra. In the fourth Fe site, Fe(4) is bonded to one O(2) and three equivalent O(5) atoms to form corner-sharing FeO4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-61°. In the fifth Fe site, Fe(5) is bonded to one O(6), one O(7), two equivalent O(5), and two equivalent O(8) atoms to form FeO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(4)O4 tetrahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Zn(1)O6 octahedra, and edges with four equivalent Fe(5)O6 octahedra. In the sixth Fe site, Fe(6) is bonded to three equivalent O(3) and three equivalent O(5) atoms to form FeO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Fe(4)O4 tetrahedra, edges with three equivalent Fe(3)O6 octahedra, and edges with three equivalent Fe(5)O6 octahedra. Zn(1) is bonded to three equivalent O(1) and three equivalent O(8) atoms to form ZnO6 octahedra that share corners with three equivalent Fe(1)O4 tetrahedra, corners with three equivalent Fe(2)O4 tetrahedra, edges with three equivalent Fe(3)O6 octahedra, and edges with three equivalent Fe(5)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Fe(2), two equivalent Fe(3), and one Zn(1) atom. In the second O site, O(2) is bonded to one Fe(4) and three equivalent Fe(3) atoms to form distorted OFe4 tetrahedra that share corners with three equivalent O(5)Fe4 trigonal pyramids and corners with six equivalent O(3)LiFe3 trigonal pyramids. In the third O site, O(3) is bonded to one Li(1), one Fe(6), and two equivalent Fe(3) atoms to form distorted OLiFe3 trigonal pyramids that share  a cornercorner with one O(7)LiFe3 tetrahedra, corners with two equivalent O(2)Fe4 tetrahedra, corners with two equivalent O(3)LiFe3 trigonal pyramids, corners with three equivalent O(5)Fe4 trigonal pyramids, and edges with two equivalent O(3)LiFe3 trigonal pyramids. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Fe(1) and three equivalent Fe(3) atoms. In the fifth O site, O(5) is bonded to one Fe(4), one Fe(6), and two equivalent Fe(5) atoms to form distorted OFe4 trigonal pyramids that share  a cornercorner with one O(2)Fe4 tetrahedra, corners with two equivalent O(7)LiFe3 tetrahedra, corners with two equivalent O(5)Fe4 trigonal pyramids, corners with three equivalent O(3)LiFe3 trigonal pyramids, and edges with two equivalent O(5)Fe4 trigonal pyramids. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Fe(2) and three equivalent Fe(5) atoms. In the seventh O site, O(7) is bonded to one Li(1) and three equivalent Fe(5) atoms to form distorted OLiFe3 tetrahedra that share corners with three equivalent O(3)LiFe3 trigonal pyramids and corners with six equivalent O(5)Fe4 trigonal pyramids. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Fe(1), two equivalent Fe(5), and one Zn(1) atom. is represented by the CIF card [CIF]
data_LiZn(Fe5O8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.504
_cell_length_b   10.504
_cell_length_c   10.504
_cell_angle_alpha   33.542
_cell_angle_beta   33.542
_cell_angle_gamma   33.542
_symmetry_Int_Tables_number   1
_cell_volume   315.125
_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  0.499  0.499  0.499  1.0
  Zn  Zn1  1  0.688  0.688  0.688  1.0
  Fe  Fe2  1  0.999  0.999  0.999  1.0
  Fe  Fe3  1  0.377  0.377  0.377  1.0
  Fe  Fe4  1  0.437  0.940  0.940  1.0
  Fe  Fe5  1  0.940  0.940  0.437  1.0
  Fe  Fe6  1  0.940  0.437  0.940  1.0
  Fe  Fe7  1  0.876  0.876  0.876  1.0
  Fe  Fe8  1  0.936  0.438  0.438  1.0
  Fe  Fe9  1  0.186  0.186  0.186  1.0
  Fe  Fe10  1  0.438  0.936  0.438  1.0
  Fe  Fe11  1  0.438  0.438  0.936  1.0
  O  O12  1  0.571  0.571  0.051  1.0
  O  O13  1  0.571  0.051  0.571  1.0
  O  O14  1  0.051  0.571  0.571  1.0
  O  O15  1  0.805  0.805  0.805  1.0
  O  O16  1  0.842  0.294  0.294  1.0
  O  O17  1  0.064  0.064  0.064  1.0
  O  O18  1  0.294  0.842  0.294  1.0
  O  O19  1  0.294  0.294  0.842  1.0
  O  O20  1  0.082  0.532  0.082  1.0
  O  O21  1  0.082  0.082  0.532  1.0
  O  O22  1  0.532  0.082  0.082  1.0
  O  O23  1  0.310  0.310  0.310  1.0
  O  O24  1  0.570  0.570  0.570  1.0
  O  O25  1  0.323  0.803  0.803  1.0
  O  O26  1  0.803  0.803  0.323  1.0
  O  O27  1  0.803  0.323  0.803  1.0
[/CIF]
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The compound described by LiZn(Fe5O8)2 is Spinel-derived structured and crystallizes in the trigonal R3m space group. Li(1) is bonded to one O(7) and three equivalent O(3) atoms to form LiO4 tetrahedra that share corners with three equivalent Fe(5)O6 octahedra, corners with three equivalent Fe(6)O6 octahedra, and corners with six equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(4) and three equivalent O(8) atoms to form FeO4 tetrahedra that share corners with three equivalent Fe(3)O6 octahedra, corners with three equivalent Zn(1)O6 octahedra, and corners with six equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-58°. In the second Fe site, Fe(2) is bonded to one O(6) and three equivalent O(1) atoms to form FeO4 tetrahedra that share corners with three equivalent Fe(5)O6 octahedra, corners with three equivalent Zn(1)O6 octahedra, and corners with six equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-57°. In the third Fe site, Fe(3) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Fe(2)O4 tetrahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Zn(1)O6 octahedra, and edges with four equivalent Fe(3)O6 octahedra. In the fourth Fe site, Fe(4) is bonded to one O(2) and three equivalent O(5) atoms to form corner-sharing FeO4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-61°. In the fifth Fe site, Fe(5) is bonded to one O(6), one O(7), two equivalent O(5), and two equivalent O(8) atoms to form FeO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Fe(2)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(4)O4 tetrahedra,  an edgeedge with one Fe(6)O6 octahedra,  an edgeedge with one Zn(1)O6 octahedra, and edges with four equivalent Fe(5)O6 octahedra. In the sixth Fe site, Fe(6) is bonded to three equivalent O(3) and three equivalent O(5) atoms to form FeO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Fe(4)O4 tetrahedra, edges with three equivalent Fe(3)O6 octahedra, and edges with three equivalent Fe(5)O6 octahedra. Zn(1) is bonded to three equivalent O(1) and three equivalent O(8) atoms to form ZnO6 octahedra that share corners with three equivalent Fe(1)O4 tetrahedra, corners with three equivalent Fe(2)O4 tetrahedra, edges with three equivalent Fe(3)O6 octahedra, and edges with three equivalent Fe(5)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Fe(2), two equivalent Fe(3), and one Zn(1) atom. In the second O site, O(2) is bonded to one Fe(4) and three equivalent Fe(3) atoms to form distorted OFe4 tetrahedra that share corners with three equivalent O(5)Fe4 trigonal pyramids and corners with six equivalent O(3)LiFe3 trigonal pyramids. In the third O site, O(3) is bonded to one Li(1), one Fe(6), and two equivalent Fe(3) atoms to form distorted OLiFe3 trigonal pyramids that share  a cornercorner with one O(7)LiFe3 tetrahedra, corners with two equivalent O(2)Fe4 tetrahedra, corners with two equivalent O(3)LiFe3 trigonal pyramids, corners with three equivalent O(5)Fe4 trigonal pyramids, and edges with two equivalent O(3)LiFe3 trigonal pyramids. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Fe(1) and three equivalent Fe(3) atoms. In the fifth O site, O(5) is bonded to one Fe(4), one Fe(6), and two equivalent Fe(5) atoms to form distorted OFe4 trigonal pyramids that share  a cornercorner with one O(2)Fe4 tetrahedra, corners with two equivalent O(7)LiFe3 tetrahedra, corners with two equivalent O(5)Fe4 trigonal pyramids, corners with three equivalent O(3)LiFe3 trigonal pyramids, and edges with two equivalent O(5)Fe4 trigonal pyramids. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Fe(2) and three equivalent Fe(5) atoms. In the seventh O site, O(7) is bonded to one Li(1) and three equivalent Fe(5) atoms to form distorted OLiFe3 tetrahedra that share corners with three equivalent O(3)LiFe3 trigonal pyramids and corners with six equivalent O(5)Fe4 trigonal pyramids. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Fe(1), two equivalent Fe(5), and one Zn(1) atom. is represented by the CIF card [CIF]
data_LiZn(Fe5O8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.504
_cell_length_b   10.504
_cell_length_c   10.504
_cell_angle_alpha   33.542
_cell_angle_beta   33.542
_cell_angle_gamma   33.542
_symmetry_Int_Tables_number   1
_cell_volume   315.125
_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  0.499  0.499  0.499  1.0
  Zn  Zn1  1  0.688  0.688  0.688  1.0
  Fe  Fe2  1  0.999  0.999  0.999  1.0
  Fe  Fe3  1  0.377  0.377  0.377  1.0
  Fe  Fe4  1  0.437  0.940  0.940  1.0
  Fe  Fe5  1  0.940  0.940  0.437  1.0
  Fe  Fe6  1  0.940  0.437  0.940  1.0
  Fe  Fe7  1  0.876  0.876  0.876  1.0
  Fe  Fe8  1  0.936  0.438  0.438  1.0
  Fe  Fe9  1  0.186  0.186  0.186  1.0
  Fe  Fe10  1  0.438  0.936  0.438  1.0
  Fe  Fe11  1  0.438  0.438  0.936  1.0
  O  O12  1  0.571  0.571  0.051  1.0
  O  O13  1  0.571  0.051  0.571  1.0
  O  O14  1  0.051  0.571  0.571  1.0
  O  O15  1  0.805  0.805  0.805  1.0
  O  O16  1  0.842  0.294  0.294  1.0
  O  O17  1  0.064  0.064  0.064  1.0
  O  O18  1  0.294  0.842  0.294  1.0
  O  O19  1  0.294  0.294  0.842  1.0
  O  O20  1  0.082  0.532  0.082  1.0
  O  O21  1  0.082  0.082  0.532  1.0
  O  O22  1  0.532  0.082  0.082  1.0
  O  O23  1  0.310  0.310  0.310  1.0
  O  O24  1  0.570  0.570  0.570  1.0
  O  O25  1  0.323  0.803  0.803  1.0
  O  O26  1  0.803  0.803  0.323  1.0
  O  O27  1  0.803  0.323  0.803  1.0
[/CIF]
.