The structure described by Li2FeAl2O6 crystallizes in the monoclinic C2 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Al(4)O6 octahedra,  a cornercorner with one Al(5)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Al(1)O6 octahedra,  an edgeedge with one Al(3)O6 octahedra,  an edgeedge with one Al(4)O6 octahedra,  an edgeedge with one Al(5)O6 octahedra, and edges with three equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-13°. In the second Li site, Li(2) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra,  a cornercorner with one Al(5)O6 octahedra,  a cornercorner with one Al(6)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Al(1)O6 octahedra,  an edgeedge with one Al(2)O6 octahedra,  an edgeedge with one Al(5)O6 octahedra,  an edgeedge with one Al(6)O6 octahedra, and edges with three equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-12°. In the third Li site, Li(3) is bonded to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Al(4)O6 octahedra,  a cornercorner with one Al(5)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Al(1)O6 octahedra,  an edgeedge with one Al(3)O6 octahedra,  an edgeedge with one Al(4)O6 octahedra,  an edgeedge with one Al(5)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-13°. In the fourth Li site, Li(4) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom to form distorted LiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra,  a cornercorner with one Al(5)O6 octahedra,  a cornercorner with one Al(6)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Al(1)O6 octahedra,  an edgeedge with one Al(2)O6 octahedra,  an edgeedge with one Al(5)O6 octahedra,  an edgeedge with one Al(6)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-12°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(12), one O(2), one O(4), one O(5), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)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 Li(4)O6 octahedra, edges with three equivalent Al(1)O6 octahedra, and edges with three equivalent Al(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-12°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(8), and two equivalent O(9) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Al(3)O6 octahedra, and edges with three equivalent Al(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-10°. In the third Fe site, Fe(3) is bonded to two equivalent O(11), two equivalent O(3), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with three equivalent Al(2)O6 octahedra, and edges with three equivalent Al(6)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. There are six inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(10), one O(12), one O(2), one O(4), one O(5), and one O(7) atom to form AlO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)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 Li(4)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with three equivalent Al(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-12°. In the second Al site, Al(2) is bonded to two equivalent O(11), two equivalent O(3), and two equivalent O(6) atoms to form AlO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with three equivalent Fe(3)O6 octahedra, and edges with three equivalent Al(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-12°. In the third Al site, Al(3) is bonded to two equivalent O(1), two equivalent O(8), and two equivalent O(9) atoms to form AlO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, and edges with three equivalent Al(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-13°. In the fourth Al site, Al(4) is bonded to two equivalent O(1), two equivalent O(8), and two equivalent O(9) atoms to form AlO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, and edges with three equivalent Al(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-13°. In the fifth Al site, Al(5) is bonded to one O(10), one O(12), one O(2), one O(4), one O(5), and one O(7) atom to form AlO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)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 Li(4)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with three equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-12°. In the sixth Al site, Al(6) is bonded to two equivalent O(11), two equivalent O(3), and two equivalent O(6) atoms to form AlO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with three equivalent Fe(3)O6 octahedra, and edges with three equivalent Al(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-12°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), one Fe(2), one Al(3), and one Al(4) atom to form a mixture of edge and corner-sharing OLi2Al2Fe square pyramids. In the second O site, O(2) is bonded to one Li(2), one Li(4), one Fe(1), one Al(1), and one Al(5) atom to form a mixture of edge and corner-sharing OLi2Al2Fe square pyramids. In the third O site, O(3) is bonded to one Li(2), one Li(4), one Fe(3), one Al(2), and one Al(6) atom to form a mixture of edge and corner-sharing OLi2Al2Fe square pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Fe(1), one Al(1), and one Al(5) atom to form a mixture of edge and corner-sharing OLi2Al2Fe square pyramids. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Fe(1), one Al(1), and one Al(5) atom to form a mixture of edge and corner-sharing OLi2Al2Fe square pyramids. In the sixth O site, O(6) is bonded to one Li(2), one Li(4), one Fe(3), one Al(2), and one Al(6) atom to form a mixture of edge and corner-sharing OLi2Al2Fe square pyramids. In the seventh O site, O(7) is bonded to one Li(2), one Li(4), one Fe(1), one Al(1), and one Al(5) atom to form a mixture of edge and corner-sharing OLi2Al2Fe square pyramids. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Fe(2), one Al(3), and one Al(4) atom to form a mixture of edge and corner-sharing OLi2Al2Fe square pyramids. In the ninth O site, O(9) is bonded to one Li(1), one Li(3), one Fe(2), one Al(3), and one Al(4) atom to form a mixture of edge and corner-sharing OLi2Al2Fe square pyramids. In the tenth O site, O(10) is bonded to one Li(2), one Li(4), one Fe(1), one Al(1), and one Al(5) atom to form a mixture of edge and corner-sharing OLi2Al2Fe square pyramids. In the eleventh O site, O(11) is bonded to one Li(2), one Li(4), one Fe(3), one Al(2), and one Al(6) atom to form a mixture of edge and corner-sharing OLi2Al2Fe square pyramids. In the twelfth O site, O(12) is bonded to one Li(1), one Li(3), one Fe(1), one Al(1), and one Al(5) atom to form a mixture of edge and corner-sharing OLi2Al2Fe square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Al2FeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.001
_cell_length_b   4.926
_cell_length_c   19.727
_cell_angle_alpha   92.857
_cell_angle_beta   95.654
_cell_angle_gamma   59.532
_symmetry_Int_Tables_number   1
_cell_volume   416.800
_cell_formula_units_Z   4
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  0.360  0.002  0.125  1.0
  Li  Li1  1  0.124  0.001  0.375  1.0
  Li  Li2  1  0.875  0.001  0.625  1.0
  Li  Li3  1  0.638  0.002  0.875  1.0
  Li  Li4  1  0.036  0.691  0.124  1.0
  Li  Li5  1  0.774  0.702  0.375  1.0
  Li  Li6  1  0.524  0.701  0.625  1.0
  Li  Li7  1  0.275  0.691  0.876  1.0
  Al  Al8  1  0.418  0.664  0.250  1.0
  Al  Al9  1  0.168  0.664  0.500  1.0
  Al  Al10  1  0.918  0.664  0.750  1.0
  Al  Al11  1  0.670  0.658  0.000  1.0
  Al  Al12  1  0.335  0.330  1.000  1.0
  Al  Al13  1  0.090  0.320  0.250  1.0
  Al  Al14  1  0.840  0.320  0.500  1.0
  Al  Al15  1  0.590  0.320  0.750  1.0
  Fe  Fe16  1  0.250  1.000  0.750  1.0
  Fe  Fe17  1  1.000  1.000  1.000  1.0
  Fe  Fe18  1  0.750  0.999  0.250  1.0
  Fe  Fe19  1  0.500  0.000  0.500  1.0
  O  O20  1  0.346  0.671  0.052  1.0
  O  O21  1  0.092  0.668  0.302  1.0
  O  O22  1  0.842  0.669  0.552  1.0
  O  O23  1  0.592  0.669  0.802  1.0
  O  O24  1  0.739  0.669  0.198  1.0
  O  O25  1  0.489  0.669  0.448  1.0
  O  O26  1  0.240  0.669  0.698  1.0
  O  O27  1  0.983  0.672  0.948  1.0
  O  O28  1  0.091  0.986  0.196  1.0
  O  O29  1  0.842  0.986  0.446  1.0
  O  O30  1  0.592  0.986  0.696  1.0
  O  O31  1  0.320  0.989  0.949  1.0
  O  O32  1  0.691  0.989  0.051  1.0
  O  O33  1  0.422  0.986  0.304  1.0
  O  O34  1  0.172  0.986  0.554  1.0
  O  O35  1  0.922  0.986  0.804  1.0
  O  O36  1  0.028  0.335  0.050  1.0
  O  O37  1  0.775  0.333  0.299  1.0
  O  O38  1  0.525  0.334  0.550  1.0
  O  O39  1  0.275  0.334  0.800  1.0
  O  O40  1  0.390  0.334  0.200  1.0
  O  O41  1  0.141  0.334  0.450  1.0
  O  O42  1  0.892  0.334  0.701  1.0
  O  O43  1  0.636  0.335  0.950  1.0
[/CIF]
.
The structure described by Li2FeAl2O6 crystallizes in the monoclinic C2 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Al(4)O6 octahedra,  a cornercorner with one Al(5)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Al(1)O6 octahedra,  an edgeedge with one Al(3)O6 octahedra,  an edgeedge with one Al(4)O6 octahedra,  an edgeedge with one Al(5)O6 octahedra, and edges with three equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-13°. In the second Li site, Li(2) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom to form LiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra,  a cornercorner with one Al(5)O6 octahedra,  a cornercorner with one Al(6)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Al(1)O6 octahedra,  an edgeedge with one Al(2)O6 octahedra,  an edgeedge with one Al(5)O6 octahedra,  an edgeedge with one Al(6)O6 octahedra, and edges with three equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-12°. In the third Li site, Li(3) is bonded to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Al(4)O6 octahedra,  a cornercorner with one Al(5)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Al(1)O6 octahedra,  an edgeedge with one Al(3)O6 octahedra,  an edgeedge with one Al(4)O6 octahedra,  an edgeedge with one Al(5)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-13°. In the fourth Li site, Li(4) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom to form distorted LiO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra,  a cornercorner with one Al(5)O6 octahedra,  a cornercorner with one Al(6)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Al(1)O6 octahedra,  an edgeedge with one Al(2)O6 octahedra,  an edgeedge with one Al(5)O6 octahedra,  an edgeedge with one Al(6)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-12°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(12), one O(2), one O(4), one O(5), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)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 Li(4)O6 octahedra, edges with three equivalent Al(1)O6 octahedra, and edges with three equivalent Al(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-12°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(8), and two equivalent O(9) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Al(3)O6 octahedra, and edges with three equivalent Al(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-10°. In the third Fe site, Fe(3) is bonded to two equivalent O(11), two equivalent O(3), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with three equivalent Al(2)O6 octahedra, and edges with three equivalent Al(6)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. There are six inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(10), one O(12), one O(2), one O(4), one O(5), and one O(7) atom to form AlO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)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 Li(4)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with three equivalent Al(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-12°. In the second Al site, Al(2) is bonded to two equivalent O(11), two equivalent O(3), and two equivalent O(6) atoms to form AlO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with three equivalent Fe(3)O6 octahedra, and edges with three equivalent Al(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-12°. In the third Al site, Al(3) is bonded to two equivalent O(1), two equivalent O(8), and two equivalent O(9) atoms to form AlO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, and edges with three equivalent Al(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-13°. In the fourth Al site, Al(4) is bonded to two equivalent O(1), two equivalent O(8), and two equivalent O(9) atoms to form AlO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, and edges with three equivalent Al(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-13°. In the fifth Al site, Al(5) is bonded to one O(10), one O(12), one O(2), one O(4), one O(5), and one O(7) atom to form AlO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)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 Li(4)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with three equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-12°. In the sixth Al site, Al(6) is bonded to two equivalent O(11), two equivalent O(3), and two equivalent O(6) atoms to form AlO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with three equivalent Fe(3)O6 octahedra, and edges with three equivalent Al(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-12°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), one Fe(2), one Al(3), and one Al(4) atom to form a mixture of edge and corner-sharing OLi2Al2Fe square pyramids. In the second O site, O(2) is bonded to one Li(2), one Li(4), one Fe(1), one Al(1), and one Al(5) atom to form a mixture of edge and corner-sharing OLi2Al2Fe square pyramids. In the third O site, O(3) is bonded to one Li(2), one Li(4), one Fe(3), one Al(2), and one Al(6) atom to form a mixture of edge and corner-sharing OLi2Al2Fe square pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Fe(1), one Al(1), and one Al(5) atom to form a mixture of edge and corner-sharing OLi2Al2Fe square pyramids. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Fe(1), one Al(1), and one Al(5) atom to form a mixture of edge and corner-sharing OLi2Al2Fe square pyramids. In the sixth O site, O(6) is bonded to one Li(2), one Li(4), one Fe(3), one Al(2), and one Al(6) atom to form a mixture of edge and corner-sharing OLi2Al2Fe square pyramids. In the seventh O site, O(7) is bonded to one Li(2), one Li(4), one Fe(1), one Al(1), and one Al(5) atom to form a mixture of edge and corner-sharing OLi2Al2Fe square pyramids. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Fe(2), one Al(3), and one Al(4) atom to form a mixture of edge and corner-sharing OLi2Al2Fe square pyramids. In the ninth O site, O(9) is bonded to one Li(1), one Li(3), one Fe(2), one Al(3), and one Al(4) atom to form a mixture of edge and corner-sharing OLi2Al2Fe square pyramids. In the tenth O site, O(10) is bonded to one Li(2), one Li(4), one Fe(1), one Al(1), and one Al(5) atom to form a mixture of edge and corner-sharing OLi2Al2Fe square pyramids. In the eleventh O site, O(11) is bonded to one Li(2), one Li(4), one Fe(3), one Al(2), and one Al(6) atom to form a mixture of edge and corner-sharing OLi2Al2Fe square pyramids. In the twelfth O site, O(12) is bonded to one Li(1), one Li(3), one Fe(1), one Al(1), and one Al(5) atom to form a mixture of edge and corner-sharing OLi2Al2Fe square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Al2FeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.001
_cell_length_b   4.926
_cell_length_c   19.727
_cell_angle_alpha   92.857
_cell_angle_beta   95.654
_cell_angle_gamma   59.532
_symmetry_Int_Tables_number   1
_cell_volume   416.800
_cell_formula_units_Z   4
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  0.360  0.002  0.125  1.0
  Li  Li1  1  0.124  0.001  0.375  1.0
  Li  Li2  1  0.875  0.001  0.625  1.0
  Li  Li3  1  0.638  0.002  0.875  1.0
  Li  Li4  1  0.036  0.691  0.124  1.0
  Li  Li5  1  0.774  0.702  0.375  1.0
  Li  Li6  1  0.524  0.701  0.625  1.0
  Li  Li7  1  0.275  0.691  0.876  1.0
  Al  Al8  1  0.418  0.664  0.250  1.0
  Al  Al9  1  0.168  0.664  0.500  1.0
  Al  Al10  1  0.918  0.664  0.750  1.0
  Al  Al11  1  0.670  0.658  0.000  1.0
  Al  Al12  1  0.335  0.330  1.000  1.0
  Al  Al13  1  0.090  0.320  0.250  1.0
  Al  Al14  1  0.840  0.320  0.500  1.0
  Al  Al15  1  0.590  0.320  0.750  1.0
  Fe  Fe16  1  0.250  1.000  0.750  1.0
  Fe  Fe17  1  1.000  1.000  1.000  1.0
  Fe  Fe18  1  0.750  0.999  0.250  1.0
  Fe  Fe19  1  0.500  0.000  0.500  1.0
  O  O20  1  0.346  0.671  0.052  1.0
  O  O21  1  0.092  0.668  0.302  1.0
  O  O22  1  0.842  0.669  0.552  1.0
  O  O23  1  0.592  0.669  0.802  1.0
  O  O24  1  0.739  0.669  0.198  1.0
  O  O25  1  0.489  0.669  0.448  1.0
  O  O26  1  0.240  0.669  0.698  1.0
  O  O27  1  0.983  0.672  0.948  1.0
  O  O28  1  0.091  0.986  0.196  1.0
  O  O29  1  0.842  0.986  0.446  1.0
  O  O30  1  0.592  0.986  0.696  1.0
  O  O31  1  0.320  0.989  0.949  1.0
  O  O32  1  0.691  0.989  0.051  1.0
  O  O33  1  0.422  0.986  0.304  1.0
  O  O34  1  0.172  0.986  0.554  1.0
  O  O35  1  0.922  0.986  0.804  1.0
  O  O36  1  0.028  0.335  0.050  1.0
  O  O37  1  0.775  0.333  0.299  1.0
  O  O38  1  0.525  0.334  0.550  1.0
  O  O39  1  0.275  0.334  0.800  1.0
  O  O40  1  0.390  0.334  0.200  1.0
  O  O41  1  0.141  0.334  0.450  1.0
  O  O42  1  0.892  0.334  0.701  1.0
  O  O43  1  0.636  0.335  0.950  1.0
[/CIF]
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