The material described by Li2Cr2FeO6 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(5), one O(6), one O(7), one O(9), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Fe(1)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(3)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the second Li site, Li(2) is bonded to one O(3), one O(5), one O(8), one O(9), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Fe(1)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 Cr(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the third Li site, Li(3) is bonded to one O(3), one O(6), one O(7), one O(8), and two equivalent O(1) atoms to form LiO6 octahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Cr(3)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, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), one O(5), one O(6), and two equivalent O(8) atoms to form CrO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the second Cr site, Cr(2) is bonded to one O(1), one O(3), one O(6), one O(7), one O(8), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-11°. In the third Cr site, Cr(3) is bonded to one O(2), one O(3), one O(4), one O(6), and two equivalent O(9) atoms to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-10°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(7) atoms to form FeO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. There are nine inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(3), one Cr(1), one Cr(2), and one Fe(2) atom to form OLi2Cr2Fe square pyramids that share  a cornercorner with one O(2)Li2Cr2Fe square pyramid,  a cornercorner with one O(8)Li2Cr3 square pyramid,  a cornercorner with one O(9)Li2Cr3 square pyramid,  a cornercorner with one O(4)Li2CrFe2 square pyramid,  a cornercorner with one O(7)Li2CrFe2 square pyramid, corners with two equivalent O(3)Li2Cr2Fe square pyramids, corners with two equivalent O(6)Li2Cr3 square pyramids,  an edgeedge with one O(1)Li2Cr2Fe square pyramid,  an edgeedge with one O(3)Li2Cr2Fe square pyramid,  an edgeedge with one O(6)Li2Cr3 square pyramid,  an edgeedge with one O(5)Li2CrFe2 square pyramid, edges with two equivalent O(8)Li2Cr3 square pyramids, and edges with two equivalent O(7)Li2CrFe2 square pyramids. In the second O site, O(2) is bonded to two equivalent Li(2), one Cr(1), one Cr(3), and one Fe(1) atom to form OLi2Cr2Fe square pyramids that share  a cornercorner with one O(1)Li2Cr2Fe square pyramid,  a cornercorner with one O(2)Li2Cr2Fe square pyramid,  a cornercorner with one O(3)Li2Cr2Fe square pyramid,  a cornercorner with one O(4)Li2CrFe2 square pyramid,  a cornercorner with one O(5)Li2CrFe2 square pyramid, corners with two equivalent O(8)Li2Cr3 square pyramids, corners with two equivalent O(9)Li2Cr3 square pyramids,  an edgeedge with one O(2)Li2Cr2Fe square pyramid,  an edgeedge with one O(3)Li2Cr2Fe square pyramid,  an edgeedge with one O(6)Li2Cr3 square pyramid,  an edgeedge with one O(8)Li2Cr3 square pyramid,  an edgeedge with one O(9)Li2Cr3 square pyramid,  an edgeedge with one O(4)Li2CrFe2 square pyramid, and edges with two equivalent O(5)Li2CrFe2 square pyramids. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Cr(2), one Cr(3), and one Fe(2) atom to form OLi2Cr2Fe square pyramids that share  a cornercorner with one O(2)Li2Cr2Fe square pyramid,  a cornercorner with one O(8)Li2Cr3 square pyramid, corners with two equivalent O(1)Li2Cr2Fe square pyramids, corners with two equivalent O(9)Li2Cr3 square pyramids, corners with three equivalent O(6)Li2Cr3 square pyramids,  an edgeedge with one O(1)Li2Cr2Fe square pyramid,  an edgeedge with one O(2)Li2Cr2Fe square pyramid,  an edgeedge with one O(8)Li2Cr3 square pyramid,  an edgeedge with one O(9)Li2Cr3 square pyramid,  an edgeedge with one O(4)Li2CrFe2 square pyramid,  an edgeedge with one O(5)Li2CrFe2 square pyramid, and edges with two equivalent O(7)Li2CrFe2 square pyramids. In the fourth O site, O(4) is bonded to two equivalent Li(1), one Cr(3), one Fe(1), and one Fe(2) atom to form OLi2CrFe2 square pyramids that share  a cornercorner with one O(1)Li2Cr2Fe square pyramid,  a cornercorner with one O(2)Li2Cr2Fe square pyramid,  a cornercorner with one O(6)Li2Cr3 square pyramid,  a cornercorner with one O(4)Li2CrFe2 square pyramid,  a cornercorner with one O(5)Li2CrFe2 square pyramid, corners with two equivalent O(9)Li2Cr3 square pyramids, corners with two equivalent O(7)Li2CrFe2 square pyramids,  an edgeedge with one O(2)Li2Cr2Fe square pyramid,  an edgeedge with one O(3)Li2Cr2Fe square pyramid,  an edgeedge with one O(6)Li2Cr3 square pyramid,  an edgeedge with one O(9)Li2Cr3 square pyramid,  an edgeedge with one O(4)Li2CrFe2 square pyramid,  an edgeedge with one O(7)Li2CrFe2 square pyramid, and edges with two equivalent O(5)Li2CrFe2 square pyramids. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Cr(1), one Fe(1), and one Fe(2) atom to form OLi2CrFe2 square pyramids that share  a cornercorner with one O(2)Li2Cr2Fe square pyramid,  a cornercorner with one O(4)Li2CrFe2 square pyramid,  a cornercorner with one O(5)Li2CrFe2 square pyramid, corners with three equivalent O(8)Li2Cr3 square pyramids, corners with three equivalent O(7)Li2CrFe2 square pyramids,  an edgeedge with one O(1)Li2Cr2Fe square pyramid,  an edgeedge with one O(3)Li2Cr2Fe square pyramid,  an edgeedge with one O(6)Li2Cr3 square pyramid,  an edgeedge with one O(9)Li2Cr3 square pyramid, edges with two equivalent O(2)Li2Cr2Fe square pyramids, and edges with two equivalent O(4)Li2CrFe2 square pyramids. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one Cr(1), one Cr(2), and one Cr(3) atom to form OLi2Cr3 square pyramids that share  a cornercorner with one O(4)Li2CrFe2 square pyramid,  a cornercorner with one O(7)Li2CrFe2 square pyramid, corners with two equivalent O(1)Li2Cr2Fe square pyramids, corners with two equivalent O(9)Li2Cr3 square pyramids, corners with three equivalent O(3)Li2Cr2Fe square pyramids,  an edgeedge with one O(1)Li2Cr2Fe square pyramid,  an edgeedge with one O(2)Li2Cr2Fe square pyramid,  an edgeedge with one O(9)Li2Cr3 square pyramid,  an edgeedge with one O(4)Li2CrFe2 square pyramid,  an edgeedge with one O(5)Li2CrFe2 square pyramid,  an edgeedge with one O(7)Li2CrFe2 square pyramid, and edges with two equivalent O(8)Li2Cr3 square pyramids. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Cr(2), and two equivalent Fe(2) atoms to form OLi2CrFe2 square pyramids that share  a cornercorner with one O(1)Li2Cr2Fe square pyramid,  a cornercorner with one O(6)Li2Cr3 square pyramid, corners with two equivalent O(8)Li2Cr3 square pyramids, corners with two equivalent O(4)Li2CrFe2 square pyramids, corners with three equivalent O(5)Li2CrFe2 square pyramids,  an edgeedge with one O(6)Li2Cr3 square pyramid,  an edgeedge with one O(9)Li2Cr3 square pyramid,  an edgeedge with one O(4)Li2CrFe2 square pyramid,  an edgeedge with one O(7)Li2CrFe2 square pyramid, edges with two equivalent O(1)Li2Cr2Fe square pyramids, and edges with two equivalent O(3)Li2Cr2Fe square pyramids. In the eighth O site, O(8) is bonded to one Li(2), one Li(3), one Cr(2), and two equivalent Cr(1) atoms to form OLi2Cr3 square pyramids that share  a cornercorner with one O(1)Li2Cr2Fe square pyramid,  a cornercorner with one O(3)Li2Cr2Fe square pyramid, corners with two equivalent O(2)Li2Cr2Fe square pyramids, corners with two equivalent O(7)Li2CrFe2 square pyramids, corners with three equivalent O(5)Li2CrFe2 square pyramids,  an edgeedge with one O(2)Li2Cr2Fe square pyramid,  an edgeedge with one O(3)Li2Cr2Fe square pyramid,  an edgeedge with one O(8)Li2Cr3 square pyramid,  an edgeedge with one O(9)Li2Cr3 square pyramid, edges with two equivalent O(1)Li2Cr2Fe square pyramids, and edges with two equivalent O(6)Li2Cr3 square pyramids. In the ninth O site, O(9) is bonded to one Li(1), one Li(2), one Cr(2), and two equivalent Cr(3) atoms to form OLi2Cr3 square pyramids that share  a cornercorner with one O(1)Li2Cr2Fe square pyramid, corners with two equivalent O(2)Li2Cr2Fe square pyramids, corners with two equivalent O(3)Li2Cr2Fe square pyramids, corners with two equivalent O(6)Li2Cr3 square pyramids, corners with two equivalent O(4)Li2CrFe2 square pyramids,  an edgeedge with one O(2)Li2Cr2Fe square pyramid,  an edgeedge with one O(3)Li2Cr2Fe square pyramid,  an edgeedge with one O(6)Li2Cr3 square pyramid,  an edgeedge with one O(8)Li2Cr3 square pyramid,  an edgeedge with one O(9)Li2Cr3 square pyramid,  an edgeedge with one O(4)Li2CrFe2 square pyramid,  an edgeedge with one O(5)Li2CrFe2 square pyramid, and  an edgeedge with one O(7)Li2CrFe2 square pyramid. is represented by the CIF card [CIF]
data_Li2Cr2FeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.646
_cell_length_b   6.644
_cell_length_c   8.413
_cell_angle_alpha   70.943
_cell_angle_beta   109.101
_cell_angle_gamma   96.471
_symmetry_Int_Tables_number   1
_cell_volume   331.779
_cell_formula_units_Z   3
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  0.332  0.327  0.503  1.0
  Li  Li1  1  0.334  0.006  0.831  1.0
  Li  Li2  1  0.669  0.667  0.501  1.0
  Li  Li3  1  0.998  0.667  0.832  1.0
  Li  Li4  1  0.663  0.999  0.165  1.0
  Li  Li5  1  0.003  0.335  0.168  1.0
  Cr  Cr6  1  0.666  0.661  0.998  1.0
  Cr  Cr7  1  0.667  0.334  0.332  1.0
  Cr  Cr8  1  0.669  0.001  0.666  1.0
  Cr  Cr9  1  0.999  1.000  0.001  1.0
  Cr  Cr10  1  0.001  0.672  0.335  1.0
  Cr  Cr11  1  0.997  0.333  0.668  1.0
  Fe  Fe12  1  0.333  0.667  0.667  1.0
  Fe  Fe13  1  0.334  0.334  0.999  1.0
  Fe  Fe14  1  0.332  0.999  0.334  1.0
  O  O15  1  0.019  0.991  0.243  1.0
  O  O16  1  0.010  0.646  0.583  1.0
  O  O17  1  0.027  0.321  0.918  1.0
  O  O18  1  0.355  0.997  0.575  1.0
  O  O19  1  0.344  0.641  0.914  1.0
  O  O20  1  0.679  0.976  0.914  1.0
  O  O21  1  0.323  0.693  0.420  1.0
  O  O22  1  0.312  0.336  0.758  1.0
  O  O23  1  0.657  0.687  0.751  1.0
  O  O24  1  0.345  0.306  0.248  1.0
  O  O25  1  0.688  0.652  0.246  1.0
  O  O26  1  0.680  0.319  0.573  1.0
  O  O27  1  0.322  0.028  0.086  1.0
  O  O28  1  0.647  0.342  0.091  1.0
  O  O29  1  0.640  0.012  0.415  1.0
  O  O30  1  0.979  0.681  0.087  1.0
  O  O31  1  0.988  0.357  0.419  1.0
  O  O32  1  0.986  0.014  0.761  1.0
[/CIF]
.
The material described by Li2Cr2FeO6 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(5), one O(6), one O(7), one O(9), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Fe(1)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(3)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the second Li site, Li(2) is bonded to one O(3), one O(5), one O(8), one O(9), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra,  a cornercorner with one Fe(1)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 Cr(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the third Li site, Li(3) is bonded to one O(3), one O(6), one O(7), one O(8), and two equivalent O(1) atoms to form LiO6 octahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Cr(3)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, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), one O(5), one O(6), and two equivalent O(8) atoms to form CrO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the second Cr site, Cr(2) is bonded to one O(1), one O(3), one O(6), one O(7), one O(8), and one O(9) atom to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-11°. In the third Cr site, Cr(3) is bonded to one O(2), one O(3), one O(4), one O(6), and two equivalent O(9) atoms to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-10°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(7) atoms to form FeO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. There are nine inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(3), one Cr(1), one Cr(2), and one Fe(2) atom to form OLi2Cr2Fe square pyramids that share  a cornercorner with one O(2)Li2Cr2Fe square pyramid,  a cornercorner with one O(8)Li2Cr3 square pyramid,  a cornercorner with one O(9)Li2Cr3 square pyramid,  a cornercorner with one O(4)Li2CrFe2 square pyramid,  a cornercorner with one O(7)Li2CrFe2 square pyramid, corners with two equivalent O(3)Li2Cr2Fe square pyramids, corners with two equivalent O(6)Li2Cr3 square pyramids,  an edgeedge with one O(1)Li2Cr2Fe square pyramid,  an edgeedge with one O(3)Li2Cr2Fe square pyramid,  an edgeedge with one O(6)Li2Cr3 square pyramid,  an edgeedge with one O(5)Li2CrFe2 square pyramid, edges with two equivalent O(8)Li2Cr3 square pyramids, and edges with two equivalent O(7)Li2CrFe2 square pyramids. In the second O site, O(2) is bonded to two equivalent Li(2), one Cr(1), one Cr(3), and one Fe(1) atom to form OLi2Cr2Fe square pyramids that share  a cornercorner with one O(1)Li2Cr2Fe square pyramid,  a cornercorner with one O(2)Li2Cr2Fe square pyramid,  a cornercorner with one O(3)Li2Cr2Fe square pyramid,  a cornercorner with one O(4)Li2CrFe2 square pyramid,  a cornercorner with one O(5)Li2CrFe2 square pyramid, corners with two equivalent O(8)Li2Cr3 square pyramids, corners with two equivalent O(9)Li2Cr3 square pyramids,  an edgeedge with one O(2)Li2Cr2Fe square pyramid,  an edgeedge with one O(3)Li2Cr2Fe square pyramid,  an edgeedge with one O(6)Li2Cr3 square pyramid,  an edgeedge with one O(8)Li2Cr3 square pyramid,  an edgeedge with one O(9)Li2Cr3 square pyramid,  an edgeedge with one O(4)Li2CrFe2 square pyramid, and edges with two equivalent O(5)Li2CrFe2 square pyramids. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Cr(2), one Cr(3), and one Fe(2) atom to form OLi2Cr2Fe square pyramids that share  a cornercorner with one O(2)Li2Cr2Fe square pyramid,  a cornercorner with one O(8)Li2Cr3 square pyramid, corners with two equivalent O(1)Li2Cr2Fe square pyramids, corners with two equivalent O(9)Li2Cr3 square pyramids, corners with three equivalent O(6)Li2Cr3 square pyramids,  an edgeedge with one O(1)Li2Cr2Fe square pyramid,  an edgeedge with one O(2)Li2Cr2Fe square pyramid,  an edgeedge with one O(8)Li2Cr3 square pyramid,  an edgeedge with one O(9)Li2Cr3 square pyramid,  an edgeedge with one O(4)Li2CrFe2 square pyramid,  an edgeedge with one O(5)Li2CrFe2 square pyramid, and edges with two equivalent O(7)Li2CrFe2 square pyramids. In the fourth O site, O(4) is bonded to two equivalent Li(1), one Cr(3), one Fe(1), and one Fe(2) atom to form OLi2CrFe2 square pyramids that share  a cornercorner with one O(1)Li2Cr2Fe square pyramid,  a cornercorner with one O(2)Li2Cr2Fe square pyramid,  a cornercorner with one O(6)Li2Cr3 square pyramid,  a cornercorner with one O(4)Li2CrFe2 square pyramid,  a cornercorner with one O(5)Li2CrFe2 square pyramid, corners with two equivalent O(9)Li2Cr3 square pyramids, corners with two equivalent O(7)Li2CrFe2 square pyramids,  an edgeedge with one O(2)Li2Cr2Fe square pyramid,  an edgeedge with one O(3)Li2Cr2Fe square pyramid,  an edgeedge with one O(6)Li2Cr3 square pyramid,  an edgeedge with one O(9)Li2Cr3 square pyramid,  an edgeedge with one O(4)Li2CrFe2 square pyramid,  an edgeedge with one O(7)Li2CrFe2 square pyramid, and edges with two equivalent O(5)Li2CrFe2 square pyramids. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Cr(1), one Fe(1), and one Fe(2) atom to form OLi2CrFe2 square pyramids that share  a cornercorner with one O(2)Li2Cr2Fe square pyramid,  a cornercorner with one O(4)Li2CrFe2 square pyramid,  a cornercorner with one O(5)Li2CrFe2 square pyramid, corners with three equivalent O(8)Li2Cr3 square pyramids, corners with three equivalent O(7)Li2CrFe2 square pyramids,  an edgeedge with one O(1)Li2Cr2Fe square pyramid,  an edgeedge with one O(3)Li2Cr2Fe square pyramid,  an edgeedge with one O(6)Li2Cr3 square pyramid,  an edgeedge with one O(9)Li2Cr3 square pyramid, edges with two equivalent O(2)Li2Cr2Fe square pyramids, and edges with two equivalent O(4)Li2CrFe2 square pyramids. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one Cr(1), one Cr(2), and one Cr(3) atom to form OLi2Cr3 square pyramids that share  a cornercorner with one O(4)Li2CrFe2 square pyramid,  a cornercorner with one O(7)Li2CrFe2 square pyramid, corners with two equivalent O(1)Li2Cr2Fe square pyramids, corners with two equivalent O(9)Li2Cr3 square pyramids, corners with three equivalent O(3)Li2Cr2Fe square pyramids,  an edgeedge with one O(1)Li2Cr2Fe square pyramid,  an edgeedge with one O(2)Li2Cr2Fe square pyramid,  an edgeedge with one O(9)Li2Cr3 square pyramid,  an edgeedge with one O(4)Li2CrFe2 square pyramid,  an edgeedge with one O(5)Li2CrFe2 square pyramid,  an edgeedge with one O(7)Li2CrFe2 square pyramid, and edges with two equivalent O(8)Li2Cr3 square pyramids. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Cr(2), and two equivalent Fe(2) atoms to form OLi2CrFe2 square pyramids that share  a cornercorner with one O(1)Li2Cr2Fe square pyramid,  a cornercorner with one O(6)Li2Cr3 square pyramid, corners with two equivalent O(8)Li2Cr3 square pyramids, corners with two equivalent O(4)Li2CrFe2 square pyramids, corners with three equivalent O(5)Li2CrFe2 square pyramids,  an edgeedge with one O(6)Li2Cr3 square pyramid,  an edgeedge with one O(9)Li2Cr3 square pyramid,  an edgeedge with one O(4)Li2CrFe2 square pyramid,  an edgeedge with one O(7)Li2CrFe2 square pyramid, edges with two equivalent O(1)Li2Cr2Fe square pyramids, and edges with two equivalent O(3)Li2Cr2Fe square pyramids. In the eighth O site, O(8) is bonded to one Li(2), one Li(3), one Cr(2), and two equivalent Cr(1) atoms to form OLi2Cr3 square pyramids that share  a cornercorner with one O(1)Li2Cr2Fe square pyramid,  a cornercorner with one O(3)Li2Cr2Fe square pyramid, corners with two equivalent O(2)Li2Cr2Fe square pyramids, corners with two equivalent O(7)Li2CrFe2 square pyramids, corners with three equivalent O(5)Li2CrFe2 square pyramids,  an edgeedge with one O(2)Li2Cr2Fe square pyramid,  an edgeedge with one O(3)Li2Cr2Fe square pyramid,  an edgeedge with one O(8)Li2Cr3 square pyramid,  an edgeedge with one O(9)Li2Cr3 square pyramid, edges with two equivalent O(1)Li2Cr2Fe square pyramids, and edges with two equivalent O(6)Li2Cr3 square pyramids. In the ninth O site, O(9) is bonded to one Li(1), one Li(2), one Cr(2), and two equivalent Cr(3) atoms to form OLi2Cr3 square pyramids that share  a cornercorner with one O(1)Li2Cr2Fe square pyramid, corners with two equivalent O(2)Li2Cr2Fe square pyramids, corners with two equivalent O(3)Li2Cr2Fe square pyramids, corners with two equivalent O(6)Li2Cr3 square pyramids, corners with two equivalent O(4)Li2CrFe2 square pyramids,  an edgeedge with one O(2)Li2Cr2Fe square pyramid,  an edgeedge with one O(3)Li2Cr2Fe square pyramid,  an edgeedge with one O(6)Li2Cr3 square pyramid,  an edgeedge with one O(8)Li2Cr3 square pyramid,  an edgeedge with one O(9)Li2Cr3 square pyramid,  an edgeedge with one O(4)Li2CrFe2 square pyramid,  an edgeedge with one O(5)Li2CrFe2 square pyramid, and  an edgeedge with one O(7)Li2CrFe2 square pyramid. is represented by the CIF card [CIF]
data_Li2Cr2FeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.646
_cell_length_b   6.644
_cell_length_c   8.413
_cell_angle_alpha   70.943
_cell_angle_beta   109.101
_cell_angle_gamma   96.471
_symmetry_Int_Tables_number   1
_cell_volume   331.779
_cell_formula_units_Z   3
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  0.332  0.327  0.503  1.0
  Li  Li1  1  0.334  0.006  0.831  1.0
  Li  Li2  1  0.669  0.667  0.501  1.0
  Li  Li3  1  0.998  0.667  0.832  1.0
  Li  Li4  1  0.663  0.999  0.165  1.0
  Li  Li5  1  0.003  0.335  0.168  1.0
  Cr  Cr6  1  0.666  0.661  0.998  1.0
  Cr  Cr7  1  0.667  0.334  0.332  1.0
  Cr  Cr8  1  0.669  0.001  0.666  1.0
  Cr  Cr9  1  0.999  1.000  0.001  1.0
  Cr  Cr10  1  0.001  0.672  0.335  1.0
  Cr  Cr11  1  0.997  0.333  0.668  1.0
  Fe  Fe12  1  0.333  0.667  0.667  1.0
  Fe  Fe13  1  0.334  0.334  0.999  1.0
  Fe  Fe14  1  0.332  0.999  0.334  1.0
  O  O15  1  0.019  0.991  0.243  1.0
  O  O16  1  0.010  0.646  0.583  1.0
  O  O17  1  0.027  0.321  0.918  1.0
  O  O18  1  0.355  0.997  0.575  1.0
  O  O19  1  0.344  0.641  0.914  1.0
  O  O20  1  0.679  0.976  0.914  1.0
  O  O21  1  0.323  0.693  0.420  1.0
  O  O22  1  0.312  0.336  0.758  1.0
  O  O23  1  0.657  0.687  0.751  1.0
  O  O24  1  0.345  0.306  0.248  1.0
  O  O25  1  0.688  0.652  0.246  1.0
  O  O26  1  0.680  0.319  0.573  1.0
  O  O27  1  0.322  0.028  0.086  1.0
  O  O28  1  0.647  0.342  0.091  1.0
  O  O29  1  0.640  0.012  0.415  1.0
  O  O30  1  0.979  0.681  0.087  1.0
  O  O31  1  0.988  0.357  0.419  1.0
  O  O32  1  0.986  0.014  0.761  1.0
[/CIF]
.