The material structure described by LiFeZnO3 is alpha Po-derived structured and crystallizes in the orthorhombic Imm2 space group. Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Zn(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with five equivalent Fe(1)O6 octahedra, and edges with five equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Zn(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with five equivalent Li(1)O6 octahedra, and edges with five equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. Zn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ZnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Zn(1)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, edges with five equivalent Li(1)O6 octahedra, and edges with five equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), two equivalent Fe(1), and two equivalent Zn(1) atoms to form a mixture of corner and edge-sharing OLi2Zn2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the second O site, O(2) is bonded to two equivalent Li(1), two equivalent Fe(1), and two equivalent Zn(1) atoms to form a mixture of corner and edge-sharing OLi2Zn2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the third O site, O(3) is bonded to two equivalent Li(1), two equivalent Fe(1), and two equivalent Zn(1) atoms to form a mixture of corner and edge-sharing OLi2Zn2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. is represented by the CIF file [CIF]
data_LiZnFeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.231
_cell_length_b   5.231
_cell_length_c   5.231
_cell_angle_alpha   146.522
_cell_angle_beta   132.700
_cell_angle_gamma   59.186
_symmetry_Int_Tables_number   1
_cell_volume   57.536
_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  0.999  0.999  0.000  1.0
  Zn  Zn1  1  0.664  0.664  0.000  1.0
  Fe  Fe2  1  0.336  0.336  0.000  1.0
  O  O3  1  0.490  0.990  0.500  1.0
  O  O4  1  0.180  0.680  0.500  1.0
  O  O5  1  0.831  0.331  0.500  1.0
[/CIF]
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The material structure described by LiFeZnO3 is alpha Po-derived structured and crystallizes in the orthorhombic Imm2 space group. Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Zn(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with five equivalent Fe(1)O6 octahedra, and edges with five equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Zn(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with five equivalent Li(1)O6 octahedra, and edges with five equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. Zn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ZnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Zn(1)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, edges with five equivalent Li(1)O6 octahedra, and edges with five equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), two equivalent Fe(1), and two equivalent Zn(1) atoms to form a mixture of corner and edge-sharing OLi2Zn2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the second O site, O(2) is bonded to two equivalent Li(1), two equivalent Fe(1), and two equivalent Zn(1) atoms to form a mixture of corner and edge-sharing OLi2Zn2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the third O site, O(3) is bonded to two equivalent Li(1), two equivalent Fe(1), and two equivalent Zn(1) atoms to form a mixture of corner and edge-sharing OLi2Zn2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. is represented by the CIF file [CIF]
data_LiZnFeO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.231
_cell_length_b   5.231
_cell_length_c   5.231
_cell_angle_alpha   146.522
_cell_angle_beta   132.700
_cell_angle_gamma   59.186
_symmetry_Int_Tables_number   1
_cell_volume   57.536
_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  0.999  0.999  0.000  1.0
  Zn  Zn1  1  0.664  0.664  0.000  1.0
  Fe  Fe2  1  0.336  0.336  0.000  1.0
  O  O3  1  0.490  0.990  0.500  1.0
  O  O4  1  0.180  0.680  0.500  1.0
  O  O5  1  0.831  0.331  0.500  1.0
[/CIF]
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