The material described by Li4CrFe3O8 is alpha Po-derived structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(5), one O(6), one O(7), one O(8), and two equivalent O(3) atoms to form LiO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the second Li site, Li(2) is bonded to one O(3), one O(4), one O(5), one O(7), and two equivalent O(6) atoms to form LiO6 octahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the third Li site, Li(3) is bonded to one O(2), one O(4), one O(5), one O(8), and two equivalent O(1) atoms to form LiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with three equivalent Cr(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with three equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the fourth Li site, Li(4) is bonded to one O(1), one O(4), one O(7), one O(8), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with three equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. Cr(1) is bonded to one O(1), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form CrO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(5), one O(7), two equivalent O(3), and two equivalent O(6) atoms to form FeO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the second Fe site, Fe(2) is bonded to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with three equivalent Li(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the third Fe site, Fe(3) 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 Li(2)O6 octahedra, corners with four equivalent Li(4)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with four equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the fourth Fe site, Fe(4) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(8) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with four equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(4), two equivalent Li(3), one Cr(1), one Fe(3), and one Fe(4) atom to form OLi3CrFe2 octahedra that share  a cornercorner with one O(5)Li3CrFe2 octahedra,  a cornercorner with one O(6)Li3CrFe2 octahedra, corners with two equivalent O(1)Li3CrFe2 octahedra, corners with two equivalent O(8)Li3CrFe2 octahedra,  an edgeedge with one O(1)Li3CrFe2 octahedra,  an edgeedge with one O(5)Li3CrFe2 octahedra,  an edgeedge with one O(7)Li3CrFe2 octahedra, edges with two equivalent O(8)Li3CrFe2 octahedra, edges with three equivalent O(4)Li3CrFe2 octahedra, and edges with four equivalent O(2)Li3Fe3 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(3), two equivalent Li(4), one Fe(2), one Fe(3), and one Fe(4) atom to form OLi3Fe3 octahedra that share  a cornercorner with one O(7)Li3CrFe2 octahedra,  a cornercorner with one O(3)Li3Fe3 octahedra, corners with two equivalent O(4)Li3CrFe2 octahedra, corners with two equivalent O(2)Li3Fe3 octahedra,  an edgeedge with one O(5)Li3CrFe2 octahedra,  an edgeedge with one O(7)Li3CrFe2 octahedra,  an edgeedge with one O(2)Li3Fe3 octahedra, edges with two equivalent O(4)Li3CrFe2 octahedra, edges with three equivalent O(8)Li3CrFe2 octahedra, and edges with four equivalent O(1)Li3CrFe2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), one Fe(2), and two equivalent Fe(1) atoms to form OLi3Fe3 octahedra that share  a cornercorner with one O(8)Li3CrFe2 octahedra,  a cornercorner with one O(2)Li3Fe3 octahedra, corners with two equivalent O(6)Li3CrFe2 octahedra, corners with two equivalent O(7)Li3CrFe2 octahedra,  an edgeedge with one O(4)Li3CrFe2 octahedra,  an edgeedge with one O(8)Li3CrFe2 octahedra, edges with two equivalent O(7)Li3CrFe2 octahedra, edges with two equivalent O(3)Li3Fe3 octahedra, edges with three equivalent O(5)Li3CrFe2 octahedra, and edges with three equivalent O(6)Li3CrFe2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), one Li(4), one Cr(1), one Fe(2), and one Fe(3) atom to form OLi3CrFe2 octahedra that share  a cornercorner with one O(4)Li3CrFe2 octahedra,  a cornercorner with one O(6)Li3CrFe2 octahedra, corners with two equivalent O(7)Li3CrFe2 octahedra, corners with two equivalent O(2)Li3Fe3 octahedra,  an edgeedge with one O(6)Li3CrFe2 octahedra,  an edgeedge with one O(7)Li3CrFe2 octahedra,  an edgeedge with one O(3)Li3Fe3 octahedra, edges with two equivalent O(5)Li3CrFe2 octahedra, edges with two equivalent O(8)Li3CrFe2 octahedra, edges with two equivalent O(2)Li3Fe3 octahedra, and edges with three equivalent O(1)Li3CrFe2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), one Cr(1), one Fe(1), and one Fe(2) atom to form OLi3CrFe2 octahedra that share  a cornercorner with one O(1)Li3CrFe2 octahedra,  a cornercorner with one O(7)Li3CrFe2 octahedra, corners with two equivalent O(6)Li3CrFe2 octahedra, corners with two equivalent O(8)Li3CrFe2 octahedra,  an edgeedge with one O(1)Li3CrFe2 octahedra,  an edgeedge with one O(8)Li3CrFe2 octahedra,  an edgeedge with one O(2)Li3Fe3 octahedra, edges with two equivalent O(4)Li3CrFe2 octahedra, edges with two equivalent O(6)Li3CrFe2 octahedra, edges with two equivalent O(7)Li3CrFe2 octahedra, and edges with three equivalent O(3)Li3Fe3 octahedra. The corner-sharing octahedra are not tilted. In the sixth O site, O(6) is bonded to one Li(1), two equivalent Li(2), one Cr(1), and two equivalent Fe(1) atoms to form OLi3CrFe2 octahedra that share  a cornercorner with one O(1)Li3CrFe2 octahedra,  a cornercorner with one O(4)Li3CrFe2 octahedra, corners with two equivalent O(5)Li3CrFe2 octahedra, corners with two equivalent O(3)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3CrFe2 octahedra,  an edgeedge with one O(8)Li3CrFe2 octahedra, edges with two equivalent O(5)Li3CrFe2 octahedra, edges with two equivalent O(6)Li3CrFe2 octahedra, edges with three equivalent O(7)Li3CrFe2 octahedra, and edges with three equivalent O(3)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Li(4), one Cr(1), one Fe(1), and one Fe(2) atom to form OLi3CrFe2 octahedra that share  a cornercorner with one O(5)Li3CrFe2 octahedra,  a cornercorner with one O(2)Li3Fe3 octahedra, corners with two equivalent O(4)Li3CrFe2 octahedra, corners with two equivalent O(3)Li3Fe3 octahedra,  an edgeedge with one O(1)Li3CrFe2 octahedra,  an edgeedge with one O(4)Li3CrFe2 octahedra,  an edgeedge with one O(2)Li3Fe3 octahedra, edges with two equivalent O(5)Li3CrFe2 octahedra, edges with two equivalent O(8)Li3CrFe2 octahedra, edges with two equivalent O(3)Li3Fe3 octahedra, and edges with three equivalent O(6)Li3CrFe2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Li(4), one Cr(1), one Fe(2), and one Fe(4) atom to form OLi3CrFe2 octahedra that share  a cornercorner with one O(8)Li3CrFe2 octahedra,  a cornercorner with one O(3)Li3Fe3 octahedra, corners with two equivalent O(1)Li3CrFe2 octahedra, corners with two equivalent O(5)Li3CrFe2 octahedra,  an edgeedge with one O(5)Li3CrFe2 octahedra,  an edgeedge with one O(6)Li3CrFe2 octahedra,  an edgeedge with one O(3)Li3Fe3 octahedra, edges with two equivalent O(1)Li3CrFe2 octahedra, edges with two equivalent O(4)Li3CrFe2 octahedra, edges with two equivalent O(7)Li3CrFe2 octahedra, and edges with three equivalent O(2)Li3Fe3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Li4CrFe3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.185
_cell_length_b   5.963
_cell_length_c   10.753
_cell_angle_alpha   106.089
_cell_angle_beta   85.448
_cell_angle_gamma   73.289
_symmetry_Int_Tables_number   1
_cell_volume   301.348
_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  0.001  0.124  0.750  1.0
  Li  Li1  1  1.000  0.000  0.001  1.0
  Li  Li2  1  0.998  0.251  0.501  1.0
  Li  Li3  1  0.002  0.374  0.250  1.0
  Li  Li4  1  0.000  0.625  0.749  1.0
  Li  Li5  1  0.999  0.501  0.000  1.0
  Li  Li6  1  1.000  0.750  0.501  1.0
  Li  Li7  1  0.000  0.875  0.249  1.0
  Cr  Cr8  1  0.500  0.687  0.625  1.0
  Cr  Cr9  1  0.500  0.938  0.125  1.0
  Fe  Fe10  1  0.500  0.062  0.875  1.0
  Fe  Fe11  1  0.500  0.188  0.625  1.0
  Fe  Fe12  1  0.500  0.313  0.375  1.0
  Fe  Fe13  1  0.500  0.563  0.875  1.0
  Fe  Fe14  1  0.500  0.437  0.125  1.0
  Fe  Fe15  1  0.500  0.813  0.375  1.0
  O  O16  1  0.272  0.087  0.310  1.0
  O  O17  1  0.730  0.037  0.439  1.0
  O  O18  1  0.269  0.339  0.812  1.0
  O  O19  1  0.731  0.286  0.938  1.0
  O  O20  1  0.728  0.161  0.189  1.0
  O  O21  1  0.271  0.211  0.061  1.0
  O  O22  1  0.272  0.464  0.561  1.0
  O  O23  1  0.729  0.414  0.689  1.0
  O  O24  1  0.270  0.588  0.311  1.0
  O  O25  1  0.729  0.538  0.440  1.0
  O  O26  1  0.273  0.836  0.809  1.0
  O  O27  1  0.727  0.789  0.941  1.0
  O  O28  1  0.272  0.714  0.061  1.0
  O  O29  1  0.271  0.962  0.561  1.0
  O  O30  1  0.729  0.663  0.189  1.0
  O  O31  1  0.728  0.911  0.689  1.0
[/CIF]
.
The material described by Li4CrFe3O8 is alpha Po-derived structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(5), one O(6), one O(7), one O(8), and two equivalent O(3) atoms to form LiO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the second Li site, Li(2) is bonded to one O(3), one O(4), one O(5), one O(7), and two equivalent O(6) atoms to form LiO6 octahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the third Li site, Li(3) is bonded to one O(2), one O(4), one O(5), one O(8), and two equivalent O(1) atoms to form LiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with three equivalent Cr(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with three equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the fourth Li site, Li(4) is bonded to one O(1), one O(4), one O(7), one O(8), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with three equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. Cr(1) is bonded to one O(1), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form CrO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(5), one O(7), two equivalent O(3), and two equivalent O(6) atoms to form FeO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the second Fe site, Fe(2) is bonded to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with three equivalent Li(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the third Fe site, Fe(3) 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 Li(2)O6 octahedra, corners with four equivalent Li(4)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with four equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the fourth Fe site, Fe(4) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(8) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with four equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(4), two equivalent Li(3), one Cr(1), one Fe(3), and one Fe(4) atom to form OLi3CrFe2 octahedra that share  a cornercorner with one O(5)Li3CrFe2 octahedra,  a cornercorner with one O(6)Li3CrFe2 octahedra, corners with two equivalent O(1)Li3CrFe2 octahedra, corners with two equivalent O(8)Li3CrFe2 octahedra,  an edgeedge with one O(1)Li3CrFe2 octahedra,  an edgeedge with one O(5)Li3CrFe2 octahedra,  an edgeedge with one O(7)Li3CrFe2 octahedra, edges with two equivalent O(8)Li3CrFe2 octahedra, edges with three equivalent O(4)Li3CrFe2 octahedra, and edges with four equivalent O(2)Li3Fe3 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(3), two equivalent Li(4), one Fe(2), one Fe(3), and one Fe(4) atom to form OLi3Fe3 octahedra that share  a cornercorner with one O(7)Li3CrFe2 octahedra,  a cornercorner with one O(3)Li3Fe3 octahedra, corners with two equivalent O(4)Li3CrFe2 octahedra, corners with two equivalent O(2)Li3Fe3 octahedra,  an edgeedge with one O(5)Li3CrFe2 octahedra,  an edgeedge with one O(7)Li3CrFe2 octahedra,  an edgeedge with one O(2)Li3Fe3 octahedra, edges with two equivalent O(4)Li3CrFe2 octahedra, edges with three equivalent O(8)Li3CrFe2 octahedra, and edges with four equivalent O(1)Li3CrFe2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), one Fe(2), and two equivalent Fe(1) atoms to form OLi3Fe3 octahedra that share  a cornercorner with one O(8)Li3CrFe2 octahedra,  a cornercorner with one O(2)Li3Fe3 octahedra, corners with two equivalent O(6)Li3CrFe2 octahedra, corners with two equivalent O(7)Li3CrFe2 octahedra,  an edgeedge with one O(4)Li3CrFe2 octahedra,  an edgeedge with one O(8)Li3CrFe2 octahedra, edges with two equivalent O(7)Li3CrFe2 octahedra, edges with two equivalent O(3)Li3Fe3 octahedra, edges with three equivalent O(5)Li3CrFe2 octahedra, and edges with three equivalent O(6)Li3CrFe2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), one Li(4), one Cr(1), one Fe(2), and one Fe(3) atom to form OLi3CrFe2 octahedra that share  a cornercorner with one O(4)Li3CrFe2 octahedra,  a cornercorner with one O(6)Li3CrFe2 octahedra, corners with two equivalent O(7)Li3CrFe2 octahedra, corners with two equivalent O(2)Li3Fe3 octahedra,  an edgeedge with one O(6)Li3CrFe2 octahedra,  an edgeedge with one O(7)Li3CrFe2 octahedra,  an edgeedge with one O(3)Li3Fe3 octahedra, edges with two equivalent O(5)Li3CrFe2 octahedra, edges with two equivalent O(8)Li3CrFe2 octahedra, edges with two equivalent O(2)Li3Fe3 octahedra, and edges with three equivalent O(1)Li3CrFe2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), one Cr(1), one Fe(1), and one Fe(2) atom to form OLi3CrFe2 octahedra that share  a cornercorner with one O(1)Li3CrFe2 octahedra,  a cornercorner with one O(7)Li3CrFe2 octahedra, corners with two equivalent O(6)Li3CrFe2 octahedra, corners with two equivalent O(8)Li3CrFe2 octahedra,  an edgeedge with one O(1)Li3CrFe2 octahedra,  an edgeedge with one O(8)Li3CrFe2 octahedra,  an edgeedge with one O(2)Li3Fe3 octahedra, edges with two equivalent O(4)Li3CrFe2 octahedra, edges with two equivalent O(6)Li3CrFe2 octahedra, edges with two equivalent O(7)Li3CrFe2 octahedra, and edges with three equivalent O(3)Li3Fe3 octahedra. The corner-sharing octahedra are not tilted. In the sixth O site, O(6) is bonded to one Li(1), two equivalent Li(2), one Cr(1), and two equivalent Fe(1) atoms to form OLi3CrFe2 octahedra that share  a cornercorner with one O(1)Li3CrFe2 octahedra,  a cornercorner with one O(4)Li3CrFe2 octahedra, corners with two equivalent O(5)Li3CrFe2 octahedra, corners with two equivalent O(3)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3CrFe2 octahedra,  an edgeedge with one O(8)Li3CrFe2 octahedra, edges with two equivalent O(5)Li3CrFe2 octahedra, edges with two equivalent O(6)Li3CrFe2 octahedra, edges with three equivalent O(7)Li3CrFe2 octahedra, and edges with three equivalent O(3)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Li(4), one Cr(1), one Fe(1), and one Fe(2) atom to form OLi3CrFe2 octahedra that share  a cornercorner with one O(5)Li3CrFe2 octahedra,  a cornercorner with one O(2)Li3Fe3 octahedra, corners with two equivalent O(4)Li3CrFe2 octahedra, corners with two equivalent O(3)Li3Fe3 octahedra,  an edgeedge with one O(1)Li3CrFe2 octahedra,  an edgeedge with one O(4)Li3CrFe2 octahedra,  an edgeedge with one O(2)Li3Fe3 octahedra, edges with two equivalent O(5)Li3CrFe2 octahedra, edges with two equivalent O(8)Li3CrFe2 octahedra, edges with two equivalent O(3)Li3Fe3 octahedra, and edges with three equivalent O(6)Li3CrFe2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Li(4), one Cr(1), one Fe(2), and one Fe(4) atom to form OLi3CrFe2 octahedra that share  a cornercorner with one O(8)Li3CrFe2 octahedra,  a cornercorner with one O(3)Li3Fe3 octahedra, corners with two equivalent O(1)Li3CrFe2 octahedra, corners with two equivalent O(5)Li3CrFe2 octahedra,  an edgeedge with one O(5)Li3CrFe2 octahedra,  an edgeedge with one O(6)Li3CrFe2 octahedra,  an edgeedge with one O(3)Li3Fe3 octahedra, edges with two equivalent O(1)Li3CrFe2 octahedra, edges with two equivalent O(4)Li3CrFe2 octahedra, edges with two equivalent O(7)Li3CrFe2 octahedra, and edges with three equivalent O(2)Li3Fe3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Li4CrFe3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.185
_cell_length_b   5.963
_cell_length_c   10.753
_cell_angle_alpha   106.089
_cell_angle_beta   85.448
_cell_angle_gamma   73.289
_symmetry_Int_Tables_number   1
_cell_volume   301.348
_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  0.001  0.124  0.750  1.0
  Li  Li1  1  1.000  0.000  0.001  1.0
  Li  Li2  1  0.998  0.251  0.501  1.0
  Li  Li3  1  0.002  0.374  0.250  1.0
  Li  Li4  1  0.000  0.625  0.749  1.0
  Li  Li5  1  0.999  0.501  0.000  1.0
  Li  Li6  1  1.000  0.750  0.501  1.0
  Li  Li7  1  0.000  0.875  0.249  1.0
  Cr  Cr8  1  0.500  0.687  0.625  1.0
  Cr  Cr9  1  0.500  0.938  0.125  1.0
  Fe  Fe10  1  0.500  0.062  0.875  1.0
  Fe  Fe11  1  0.500  0.188  0.625  1.0
  Fe  Fe12  1  0.500  0.313  0.375  1.0
  Fe  Fe13  1  0.500  0.563  0.875  1.0
  Fe  Fe14  1  0.500  0.437  0.125  1.0
  Fe  Fe15  1  0.500  0.813  0.375  1.0
  O  O16  1  0.272  0.087  0.310  1.0
  O  O17  1  0.730  0.037  0.439  1.0
  O  O18  1  0.269  0.339  0.812  1.0
  O  O19  1  0.731  0.286  0.938  1.0
  O  O20  1  0.728  0.161  0.189  1.0
  O  O21  1  0.271  0.211  0.061  1.0
  O  O22  1  0.272  0.464  0.561  1.0
  O  O23  1  0.729  0.414  0.689  1.0
  O  O24  1  0.270  0.588  0.311  1.0
  O  O25  1  0.729  0.538  0.440  1.0
  O  O26  1  0.273  0.836  0.809  1.0
  O  O27  1  0.727  0.789  0.941  1.0
  O  O28  1  0.272  0.714  0.061  1.0
  O  O29  1  0.271  0.962  0.561  1.0
  O  O30  1  0.729  0.663  0.189  1.0
  O  O31  1  0.728  0.911  0.689  1.0
[/CIF]
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