The crystal structure described by Li3Al(FeO3)2 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(6), and two equivalent O(4) atoms to form LiO5 trigonal bipyramids that share  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Fe(1)O5 trigonal bipyramid, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Fe(2)O5 trigonal bipyramids, corners with two equivalent Al(1)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Li(2)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid,  an edgeedge with one Fe(1)O5 trigonal bipyramid,  an edgeedge with one Fe(2)O5 trigonal bipyramid, and  an edgeedge with one Al(1)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(6) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one Li(1)O5 trigonal bipyramid,  a cornercorner with one Fe(1)O5 trigonal bipyramid, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with four equivalent Fe(2)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid, edges with two equivalent Fe(1)O5 trigonal bipyramids, and edges with two equivalent Al(1)O5 trigonal bipyramids. In the third Li site, Li(3) is bonded to one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form LiO5 trigonal bipyramids that share  a cornercorner with one Fe(2)O5 trigonal bipyramid,  a cornercorner with one Al(1)O5 trigonal bipyramid, corners with two equivalent Li(1)O5 trigonal bipyramids, corners with two equivalent Li(2)O5 trigonal bipyramids, corners with two equivalent Fe(1)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Li(2)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid,  an edgeedge with one Fe(1)O5 trigonal bipyramid,  an edgeedge with one Fe(2)O5 trigonal bipyramid, and  an edgeedge with one Al(1)O5 trigonal bipyramid. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(6) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Li(1)O5 trigonal bipyramid,  a cornercorner with one Li(2)O5 trigonal bipyramid, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with four equivalent Al(1)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid, edges with two equivalent Li(2)O5 trigonal bipyramids, and edges with two equivalent Fe(2)O5 trigonal bipyramids. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(6) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one Al(1)O5 trigonal bipyramid, corners with two equivalent Li(1)O5 trigonal bipyramids, corners with four equivalent Li(2)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid, edges with two equivalent Fe(1)O5 trigonal bipyramids, and edges with two equivalent Al(1)O5 trigonal bipyramids. Al(1) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(6) atom to form AlO5 trigonal bipyramids that share  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one Fe(2)O5 trigonal bipyramid, corners with two equivalent Li(1)O5 trigonal bipyramids, corners with four equivalent Fe(1)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid, edges with two equivalent Li(2)O5 trigonal bipyramids, and edges with two equivalent Fe(2)O5 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Fe(1), one Fe(2), and one Al(1) atom to form OLi2AlFe2 trigonal bipyramids that share  a cornercorner with one O(6)Li2AlFe2 trigonal bipyramid,  a cornercorner with one O(3)Li4Fe trigonal bipyramid, corners with two equivalent O(4)Li3AlFe trigonal bipyramids, corners with four equivalent O(5)Li2AlFe2 trigonal bipyramids,  an edgeedge with one O(4)Li3AlFe trigonal bipyramid,  an edgeedge with one O(3)Li4Fe trigonal bipyramid, edges with two equivalent O(2)Li2AlFe2 trigonal bipyramids, and edges with two equivalent O(6)Li2AlFe2 trigonal bipyramids. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Fe(1), one Fe(2), and one Al(1) atom to form OLi2AlFe2 trigonal bipyramids that share  a cornercorner with one O(5)Li2AlFe2 trigonal bipyramid,  a cornercorner with one O(4)Li3AlFe trigonal bipyramid, corners with two equivalent O(3)Li4Fe trigonal bipyramids, corners with four equivalent O(6)Li2AlFe2 trigonal bipyramids,  an edgeedge with one O(4)Li3AlFe trigonal bipyramid,  an edgeedge with one O(3)Li4Fe trigonal bipyramid, edges with two equivalent O(1)Li2AlFe2 trigonal bipyramids, and edges with two equivalent O(5)Li2AlFe2 trigonal bipyramids. In the third O site, O(3) is bonded to one Li(1), one Li(2), two equivalent Li(3), and one Fe(1) atom to form OLi4Fe trigonal bipyramids that share  a cornercorner with one O(1)Li2AlFe2 trigonal bipyramid,  a cornercorner with one O(6)Li2AlFe2 trigonal bipyramid, corners with two equivalent O(2)Li2AlFe2 trigonal bipyramids, corners with two equivalent O(5)Li2AlFe2 trigonal bipyramids, corners with two equivalent O(4)Li3AlFe trigonal bipyramids,  an edgeedge with one O(1)Li2AlFe2 trigonal bipyramid,  an edgeedge with one O(2)Li2AlFe2 trigonal bipyramid,  an edgeedge with one O(5)Li2AlFe2 trigonal bipyramid,  an edgeedge with one O(6)Li2AlFe2 trigonal bipyramid,  an edgeedge with one O(4)Li3AlFe trigonal bipyramid, and  an edgeedge with one O(3)Li4Fe trigonal bipyramid. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Li(1), one Fe(2), and one Al(1) atom to form OLi3AlFe trigonal bipyramids that share  a cornercorner with one O(2)Li2AlFe2 trigonal bipyramid,  a cornercorner with one O(5)Li2AlFe2 trigonal bipyramid, corners with two equivalent O(1)Li2AlFe2 trigonal bipyramids, corners with two equivalent O(6)Li2AlFe2 trigonal bipyramids, corners with two equivalent O(3)Li4Fe trigonal bipyramids,  an edgeedge with one O(1)Li2AlFe2 trigonal bipyramid,  an edgeedge with one O(2)Li2AlFe2 trigonal bipyramid,  an edgeedge with one O(5)Li2AlFe2 trigonal bipyramid,  an edgeedge with one O(6)Li2AlFe2 trigonal bipyramid,  an edgeedge with one O(4)Li3AlFe trigonal bipyramid, and  an edgeedge with one O(3)Li4Fe trigonal bipyramid. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Fe(1), one Fe(2), and one Al(1) atom to form OLi2AlFe2 trigonal bipyramids that share  a cornercorner with one O(2)Li2AlFe2 trigonal bipyramid,  a cornercorner with one O(4)Li3AlFe trigonal bipyramid, corners with two equivalent O(3)Li4Fe trigonal bipyramids, corners with four equivalent O(1)Li2AlFe2 trigonal bipyramids,  an edgeedge with one O(4)Li3AlFe trigonal bipyramid,  an edgeedge with one O(3)Li4Fe trigonal bipyramid, edges with two equivalent O(2)Li2AlFe2 trigonal bipyramids, and edges with two equivalent O(6)Li2AlFe2 trigonal bipyramids. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Fe(1), one Fe(2), and one Al(1) atom to form OLi2AlFe2 trigonal bipyramids that share  a cornercorner with one O(1)Li2AlFe2 trigonal bipyramid,  a cornercorner with one O(3)Li4Fe trigonal bipyramid, corners with two equivalent O(4)Li3AlFe trigonal bipyramids, corners with four equivalent O(2)Li2AlFe2 trigonal bipyramids,  an edgeedge with one O(4)Li3AlFe trigonal bipyramid,  an edgeedge with one O(3)Li4Fe trigonal bipyramid, edges with two equivalent O(1)Li2AlFe2 trigonal bipyramids, and edges with two equivalent O(5)Li2AlFe2 trigonal bipyramids. is represented by the CIF card [CIF]
data_Li3Al(FeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.349
_cell_length_b   5.947
_cell_length_c   10.091
_cell_angle_alpha   54.503
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   505.575
_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  0.998  0.521  0.636  1.0
  Li  Li1  1  0.658  0.557  0.624  1.0
  Li  Li2  1  0.997  0.035  0.116  1.0
  Li  Li3  1  0.158  0.443  0.876  1.0
  Li  Li4  1  0.497  0.965  0.384  1.0
  Li  Li5  1  0.498  0.479  0.864  1.0
  Li  Li6  1  0.502  0.521  0.136  1.0
  Li  Li7  1  0.503  0.035  0.616  1.0
  Li  Li8  1  0.842  0.557  0.124  1.0
  Li  Li9  1  0.003  0.965  0.884  1.0
  Li  Li10  1  0.342  0.443  0.376  1.0
  Li  Li11  1  0.002  0.479  0.364  1.0
  Al  Al12  1  0.332  0.039  0.126  1.0
  Al  Al13  1  0.832  0.961  0.374  1.0
  Al  Al14  1  0.168  0.039  0.626  1.0
  Al  Al15  1  0.668  0.961  0.874  1.0
  Fe  Fe16  1  0.334  0.549  0.621  1.0
  Fe  Fe17  1  0.653  0.047  0.127  1.0
  Fe  Fe18  1  0.834  0.451  0.879  1.0
  Fe  Fe19  1  0.153  0.953  0.373  1.0
  Fe  Fe20  1  0.847  0.047  0.627  1.0
  Fe  Fe21  1  0.166  0.549  0.121  1.0
  Fe  Fe22  1  0.347  0.953  0.873  1.0
  Fe  Fe23  1  0.666  0.451  0.379  1.0
  O  O24  1  0.330  0.268  0.884  1.0
  O  O25  1  0.682  0.796  0.371  1.0
  O  O26  1  0.988  0.303  0.876  1.0
  O  O27  1  0.985  0.819  0.371  1.0
  O  O28  1  0.317  0.792  0.367  1.0
  O  O29  1  0.672  0.266  0.881  1.0
  O  O30  1  0.172  0.734  0.619  1.0
  O  O31  1  0.817  0.208  0.133  1.0
  O  O32  1  0.485  0.181  0.129  1.0
  O  O33  1  0.488  0.697  0.624  1.0
  O  O34  1  0.830  0.732  0.616  1.0
  O  O35  1  0.182  0.204  0.129  1.0
  O  O36  1  0.818  0.796  0.871  1.0
  O  O37  1  0.170  0.268  0.384  1.0
  O  O38  1  0.512  0.303  0.376  1.0
  O  O39  1  0.515  0.819  0.871  1.0
  O  O40  1  0.183  0.792  0.867  1.0
  O  O41  1  0.828  0.266  0.381  1.0
  O  O42  1  0.328  0.734  0.119  1.0
  O  O43  1  0.683  0.208  0.633  1.0
  O  O44  1  0.015  0.181  0.629  1.0
  O  O45  1  0.012  0.697  0.124  1.0
  O  O46  1  0.318  0.204  0.629  1.0
  O  O47  1  0.670  0.732  0.116  1.0
[/CIF]
.
The crystal structure described by Li3Al(FeO3)2 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(6), and two equivalent O(4) atoms to form LiO5 trigonal bipyramids that share  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Fe(1)O5 trigonal bipyramid, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Fe(2)O5 trigonal bipyramids, corners with two equivalent Al(1)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Li(2)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid,  an edgeedge with one Fe(1)O5 trigonal bipyramid,  an edgeedge with one Fe(2)O5 trigonal bipyramid, and  an edgeedge with one Al(1)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(6) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one Li(1)O5 trigonal bipyramid,  a cornercorner with one Fe(1)O5 trigonal bipyramid, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with four equivalent Fe(2)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid, edges with two equivalent Fe(1)O5 trigonal bipyramids, and edges with two equivalent Al(1)O5 trigonal bipyramids. In the third Li site, Li(3) is bonded to one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form LiO5 trigonal bipyramids that share  a cornercorner with one Fe(2)O5 trigonal bipyramid,  a cornercorner with one Al(1)O5 trigonal bipyramid, corners with two equivalent Li(1)O5 trigonal bipyramids, corners with two equivalent Li(2)O5 trigonal bipyramids, corners with two equivalent Fe(1)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Li(2)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid,  an edgeedge with one Fe(1)O5 trigonal bipyramid,  an edgeedge with one Fe(2)O5 trigonal bipyramid, and  an edgeedge with one Al(1)O5 trigonal bipyramid. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(6) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Li(1)O5 trigonal bipyramid,  a cornercorner with one Li(2)O5 trigonal bipyramid, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with four equivalent Al(1)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid, edges with two equivalent Li(2)O5 trigonal bipyramids, and edges with two equivalent Fe(2)O5 trigonal bipyramids. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(6) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one Al(1)O5 trigonal bipyramid, corners with two equivalent Li(1)O5 trigonal bipyramids, corners with four equivalent Li(2)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid, edges with two equivalent Fe(1)O5 trigonal bipyramids, and edges with two equivalent Al(1)O5 trigonal bipyramids. Al(1) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(6) atom to form AlO5 trigonal bipyramids that share  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one Fe(2)O5 trigonal bipyramid, corners with two equivalent Li(1)O5 trigonal bipyramids, corners with four equivalent Fe(1)O5 trigonal bipyramids,  an edgeedge with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Li(3)O5 trigonal bipyramid, edges with two equivalent Li(2)O5 trigonal bipyramids, and edges with two equivalent Fe(2)O5 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Fe(1), one Fe(2), and one Al(1) atom to form OLi2AlFe2 trigonal bipyramids that share  a cornercorner with one O(6)Li2AlFe2 trigonal bipyramid,  a cornercorner with one O(3)Li4Fe trigonal bipyramid, corners with two equivalent O(4)Li3AlFe trigonal bipyramids, corners with four equivalent O(5)Li2AlFe2 trigonal bipyramids,  an edgeedge with one O(4)Li3AlFe trigonal bipyramid,  an edgeedge with one O(3)Li4Fe trigonal bipyramid, edges with two equivalent O(2)Li2AlFe2 trigonal bipyramids, and edges with two equivalent O(6)Li2AlFe2 trigonal bipyramids. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Fe(1), one Fe(2), and one Al(1) atom to form OLi2AlFe2 trigonal bipyramids that share  a cornercorner with one O(5)Li2AlFe2 trigonal bipyramid,  a cornercorner with one O(4)Li3AlFe trigonal bipyramid, corners with two equivalent O(3)Li4Fe trigonal bipyramids, corners with four equivalent O(6)Li2AlFe2 trigonal bipyramids,  an edgeedge with one O(4)Li3AlFe trigonal bipyramid,  an edgeedge with one O(3)Li4Fe trigonal bipyramid, edges with two equivalent O(1)Li2AlFe2 trigonal bipyramids, and edges with two equivalent O(5)Li2AlFe2 trigonal bipyramids. In the third O site, O(3) is bonded to one Li(1), one Li(2), two equivalent Li(3), and one Fe(1) atom to form OLi4Fe trigonal bipyramids that share  a cornercorner with one O(1)Li2AlFe2 trigonal bipyramid,  a cornercorner with one O(6)Li2AlFe2 trigonal bipyramid, corners with two equivalent O(2)Li2AlFe2 trigonal bipyramids, corners with two equivalent O(5)Li2AlFe2 trigonal bipyramids, corners with two equivalent O(4)Li3AlFe trigonal bipyramids,  an edgeedge with one O(1)Li2AlFe2 trigonal bipyramid,  an edgeedge with one O(2)Li2AlFe2 trigonal bipyramid,  an edgeedge with one O(5)Li2AlFe2 trigonal bipyramid,  an edgeedge with one O(6)Li2AlFe2 trigonal bipyramid,  an edgeedge with one O(4)Li3AlFe trigonal bipyramid, and  an edgeedge with one O(3)Li4Fe trigonal bipyramid. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Li(1), one Fe(2), and one Al(1) atom to form OLi3AlFe trigonal bipyramids that share  a cornercorner with one O(2)Li2AlFe2 trigonal bipyramid,  a cornercorner with one O(5)Li2AlFe2 trigonal bipyramid, corners with two equivalent O(1)Li2AlFe2 trigonal bipyramids, corners with two equivalent O(6)Li2AlFe2 trigonal bipyramids, corners with two equivalent O(3)Li4Fe trigonal bipyramids,  an edgeedge with one O(1)Li2AlFe2 trigonal bipyramid,  an edgeedge with one O(2)Li2AlFe2 trigonal bipyramid,  an edgeedge with one O(5)Li2AlFe2 trigonal bipyramid,  an edgeedge with one O(6)Li2AlFe2 trigonal bipyramid,  an edgeedge with one O(4)Li3AlFe trigonal bipyramid, and  an edgeedge with one O(3)Li4Fe trigonal bipyramid. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Fe(1), one Fe(2), and one Al(1) atom to form OLi2AlFe2 trigonal bipyramids that share  a cornercorner with one O(2)Li2AlFe2 trigonal bipyramid,  a cornercorner with one O(4)Li3AlFe trigonal bipyramid, corners with two equivalent O(3)Li4Fe trigonal bipyramids, corners with four equivalent O(1)Li2AlFe2 trigonal bipyramids,  an edgeedge with one O(4)Li3AlFe trigonal bipyramid,  an edgeedge with one O(3)Li4Fe trigonal bipyramid, edges with two equivalent O(2)Li2AlFe2 trigonal bipyramids, and edges with two equivalent O(6)Li2AlFe2 trigonal bipyramids. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Fe(1), one Fe(2), and one Al(1) atom to form OLi2AlFe2 trigonal bipyramids that share  a cornercorner with one O(1)Li2AlFe2 trigonal bipyramid,  a cornercorner with one O(3)Li4Fe trigonal bipyramid, corners with two equivalent O(4)Li3AlFe trigonal bipyramids, corners with four equivalent O(2)Li2AlFe2 trigonal bipyramids,  an edgeedge with one O(4)Li3AlFe trigonal bipyramid,  an edgeedge with one O(3)Li4Fe trigonal bipyramid, edges with two equivalent O(1)Li2AlFe2 trigonal bipyramids, and edges with two equivalent O(5)Li2AlFe2 trigonal bipyramids. is represented by the CIF card [CIF]
data_Li3Al(FeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.349
_cell_length_b   5.947
_cell_length_c   10.091
_cell_angle_alpha   54.503
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   505.575
_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  0.998  0.521  0.636  1.0
  Li  Li1  1  0.658  0.557  0.624  1.0
  Li  Li2  1  0.997  0.035  0.116  1.0
  Li  Li3  1  0.158  0.443  0.876  1.0
  Li  Li4  1  0.497  0.965  0.384  1.0
  Li  Li5  1  0.498  0.479  0.864  1.0
  Li  Li6  1  0.502  0.521  0.136  1.0
  Li  Li7  1  0.503  0.035  0.616  1.0
  Li  Li8  1  0.842  0.557  0.124  1.0
  Li  Li9  1  0.003  0.965  0.884  1.0
  Li  Li10  1  0.342  0.443  0.376  1.0
  Li  Li11  1  0.002  0.479  0.364  1.0
  Al  Al12  1  0.332  0.039  0.126  1.0
  Al  Al13  1  0.832  0.961  0.374  1.0
  Al  Al14  1  0.168  0.039  0.626  1.0
  Al  Al15  1  0.668  0.961  0.874  1.0
  Fe  Fe16  1  0.334  0.549  0.621  1.0
  Fe  Fe17  1  0.653  0.047  0.127  1.0
  Fe  Fe18  1  0.834  0.451  0.879  1.0
  Fe  Fe19  1  0.153  0.953  0.373  1.0
  Fe  Fe20  1  0.847  0.047  0.627  1.0
  Fe  Fe21  1  0.166  0.549  0.121  1.0
  Fe  Fe22  1  0.347  0.953  0.873  1.0
  Fe  Fe23  1  0.666  0.451  0.379  1.0
  O  O24  1  0.330  0.268  0.884  1.0
  O  O25  1  0.682  0.796  0.371  1.0
  O  O26  1  0.988  0.303  0.876  1.0
  O  O27  1  0.985  0.819  0.371  1.0
  O  O28  1  0.317  0.792  0.367  1.0
  O  O29  1  0.672  0.266  0.881  1.0
  O  O30  1  0.172  0.734  0.619  1.0
  O  O31  1  0.817  0.208  0.133  1.0
  O  O32  1  0.485  0.181  0.129  1.0
  O  O33  1  0.488  0.697  0.624  1.0
  O  O34  1  0.830  0.732  0.616  1.0
  O  O35  1  0.182  0.204  0.129  1.0
  O  O36  1  0.818  0.796  0.871  1.0
  O  O37  1  0.170  0.268  0.384  1.0
  O  O38  1  0.512  0.303  0.376  1.0
  O  O39  1  0.515  0.819  0.871  1.0
  O  O40  1  0.183  0.792  0.867  1.0
  O  O41  1  0.828  0.266  0.381  1.0
  O  O42  1  0.328  0.734  0.119  1.0
  O  O43  1  0.683  0.208  0.633  1.0
  O  O44  1  0.015  0.181  0.629  1.0
  O  O45  1  0.012  0.697  0.124  1.0
  O  O46  1  0.318  0.204  0.629  1.0
  O  O47  1  0.670  0.732  0.116  1.0
[/CIF]
.