The compound described by Al4(FeO4)3 crystallizes in the monoclinic C2/m space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(9), and two equivalent O(4) atoms to form FeO4 tetrahedra that share corners with two equivalent Al(1)O6 octahedra, corners with two equivalent Al(3)O6 octahedra, and corners with four equivalent Al(2)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the second Fe site, Fe(2) is bonded to one O(2), one O(8), and two equivalent O(6) atoms to form FeO4 tetrahedra that share corners with three equivalent Al(4)O6 octahedra and corners with six equivalent Al(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-59°. In the third Fe site, Fe(3) is bonded to one O(3), one O(7), and two equivalent O(5) atoms to form FeO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra, corners with two equivalent Al(2)O6 octahedra, and corners with four equivalent Al(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-58°. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent O(7) and four equivalent O(4) atoms to form AlO6 octahedra that share corners with two equivalent Fe(3)O4 tetrahedra, corners with four equivalent Fe(1)O4 tetrahedra, and edges with four equivalent Al(2)O6 octahedra. In the second Al site, Al(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(7) atoms to form AlO6 octahedra that share corners with two equivalent Fe(3)O4 tetrahedra, corners with four equivalent Fe(1)O4 tetrahedra, edges with two equivalent Al(1)O6 octahedra, and edges with two equivalent Al(2)O6 octahedra. In the third Al site, Al(3) is bonded to one O(2), one O(3), one O(5), one O(6), one O(8), and one O(9) atom to form AlO6 octahedra that share  a cornercorner with one Fe(1)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra, corners with three equivalent Fe(2)O4 tetrahedra,  an edgeedge with one Al(4)O6 octahedra, and edges with two equivalent Al(3)O6 octahedra. In the fourth Al site, Al(4) is bonded to two equivalent O(2) and four equivalent O(6) atoms to form AlO6 octahedra that share corners with six equivalent Fe(2)O4 tetrahedra and edges with four equivalent Al(3)O6 octahedra. There are nine inequivalent O sites. In the first O site, O(5) is bonded in a bent 120 degrees geometry to one Fe(3) and one Al(3) atom. In the second O site, O(6) is bonded in a trigonal planar geometry to one Fe(2), one Al(3), and one Al(4) atom. In the third O site, O(7) is bonded to one Fe(3), one Al(1), and two equivalent Al(2) atoms to form distorted corner-sharing OAl3Fe trigonal pyramids. In the fourth O site, O(8) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Al(3) atoms. In the fifth O site, O(9) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Al(3) atoms. In the sixth O site, O(1) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Al(2) atoms. In the seventh O site, O(2) is bonded to one Fe(2), one Al(4), and two equivalent Al(3) atoms to form distorted corner-sharing OAl3Fe trigonal pyramids. In the eighth O site, O(3) is bonded in a trigonal planar geometry to one Fe(3) and two equivalent Al(3) atoms. In the ninth O site, O(4) is bonded in a trigonal planar geometry to one Fe(1), one Al(1), and one Al(2) atom. is represented by the CIF file [CIF]
data_Al4(FeO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.772
_cell_length_b   5.772
_cell_length_c   14.188
_cell_angle_alpha   89.780
_cell_angle_beta   89.780
_cell_angle_gamma   59.990
_symmetry_Int_Tables_number   1
_cell_volume   409.266
_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
  Al  Al0  1  0.000  0.000  0.000  1.0
  Al  Al1  1  0.500  0.000  0.000  1.0
  Al  Al2  1  0.838  0.329  0.331  1.0
  Al  Al3  1  0.162  0.671  0.669  1.0
  Al  Al4  1  0.000  0.500  0.000  1.0
  Al  Al5  1  0.329  0.838  0.331  1.0
  Al  Al6  1  0.671  0.162  0.669  1.0
  Al  Al7  1  0.500  0.500  0.500  1.0
  Fe  Fe8  1  0.498  0.498  0.125  1.0
  Fe  Fe9  1  0.835  0.835  0.459  1.0
  Fe  Fe10  1  0.166  0.166  0.788  1.0
  Fe  Fe11  1  0.502  0.502  0.875  1.0
  Fe  Fe12  1  0.834  0.834  0.212  1.0
  Fe  Fe13  1  0.165  0.165  0.541  1.0
  O  O14  1  0.325  0.325  0.070  1.0
  O  O15  1  0.652  0.652  0.415  1.0
  O  O16  1  0.993  0.993  0.738  1.0
  O  O17  1  0.154  0.674  0.931  1.0
  O  O18  1  0.501  0.975  0.256  1.0
  O  O19  1  0.803  0.324  0.580  1.0
  O  O20  1  0.674  0.154  0.931  1.0
  O  O21  1  0.975  0.501  0.256  1.0
  O  O22  1  0.324  0.803  0.580  1.0
  O  O23  1  0.834  0.834  0.073  1.0
  O  O24  1  0.155  0.155  0.407  1.0
  O  O25  1  0.484  0.484  0.742  1.0
  O  O26  1  0.326  0.846  0.069  1.0
  O  O27  1  0.676  0.197  0.420  1.0
  O  O28  1  0.025  0.499  0.744  1.0
  O  O29  1  0.166  0.166  0.927  1.0
  O  O30  1  0.516  0.516  0.258  1.0
  O  O31  1  0.845  0.845  0.593  1.0
  O  O32  1  0.675  0.675  0.930  1.0
  O  O33  1  0.007  0.007  0.262  1.0
  O  O34  1  0.348  0.348  0.585  1.0
  O  O35  1  0.846  0.326  0.069  1.0
  O  O36  1  0.197  0.676  0.420  1.0
  O  O37  1  0.499  0.025  0.744  1.0
[/CIF]
.
The compound described by Al4(FeO4)3 crystallizes in the monoclinic C2/m space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(9), and two equivalent O(4) atoms to form FeO4 tetrahedra that share corners with two equivalent Al(1)O6 octahedra, corners with two equivalent Al(3)O6 octahedra, and corners with four equivalent Al(2)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the second Fe site, Fe(2) is bonded to one O(2), one O(8), and two equivalent O(6) atoms to form FeO4 tetrahedra that share corners with three equivalent Al(4)O6 octahedra and corners with six equivalent Al(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-59°. In the third Fe site, Fe(3) is bonded to one O(3), one O(7), and two equivalent O(5) atoms to form FeO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra, corners with two equivalent Al(2)O6 octahedra, and corners with four equivalent Al(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-58°. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent O(7) and four equivalent O(4) atoms to form AlO6 octahedra that share corners with two equivalent Fe(3)O4 tetrahedra, corners with four equivalent Fe(1)O4 tetrahedra, and edges with four equivalent Al(2)O6 octahedra. In the second Al site, Al(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(7) atoms to form AlO6 octahedra that share corners with two equivalent Fe(3)O4 tetrahedra, corners with four equivalent Fe(1)O4 tetrahedra, edges with two equivalent Al(1)O6 octahedra, and edges with two equivalent Al(2)O6 octahedra. In the third Al site, Al(3) is bonded to one O(2), one O(3), one O(5), one O(6), one O(8), and one O(9) atom to form AlO6 octahedra that share  a cornercorner with one Fe(1)O4 tetrahedra, corners with two equivalent Fe(3)O4 tetrahedra, corners with three equivalent Fe(2)O4 tetrahedra,  an edgeedge with one Al(4)O6 octahedra, and edges with two equivalent Al(3)O6 octahedra. In the fourth Al site, Al(4) is bonded to two equivalent O(2) and four equivalent O(6) atoms to form AlO6 octahedra that share corners with six equivalent Fe(2)O4 tetrahedra and edges with four equivalent Al(3)O6 octahedra. There are nine inequivalent O sites. In the first O site, O(5) is bonded in a bent 120 degrees geometry to one Fe(3) and one Al(3) atom. In the second O site, O(6) is bonded in a trigonal planar geometry to one Fe(2), one Al(3), and one Al(4) atom. In the third O site, O(7) is bonded to one Fe(3), one Al(1), and two equivalent Al(2) atoms to form distorted corner-sharing OAl3Fe trigonal pyramids. In the fourth O site, O(8) is bonded in a trigonal planar geometry to one Fe(2) and two equivalent Al(3) atoms. In the fifth O site, O(9) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Al(3) atoms. In the sixth O site, O(1) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Al(2) atoms. In the seventh O site, O(2) is bonded to one Fe(2), one Al(4), and two equivalent Al(3) atoms to form distorted corner-sharing OAl3Fe trigonal pyramids. In the eighth O site, O(3) is bonded in a trigonal planar geometry to one Fe(3) and two equivalent Al(3) atoms. In the ninth O site, O(4) is bonded in a trigonal planar geometry to one Fe(1), one Al(1), and one Al(2) atom. is represented by the CIF file [CIF]
data_Al4(FeO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.772
_cell_length_b   5.772
_cell_length_c   14.188
_cell_angle_alpha   89.780
_cell_angle_beta   89.780
_cell_angle_gamma   59.990
_symmetry_Int_Tables_number   1
_cell_volume   409.266
_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
  Al  Al0  1  0.000  0.000  0.000  1.0
  Al  Al1  1  0.500  0.000  0.000  1.0
  Al  Al2  1  0.838  0.329  0.331  1.0
  Al  Al3  1  0.162  0.671  0.669  1.0
  Al  Al4  1  0.000  0.500  0.000  1.0
  Al  Al5  1  0.329  0.838  0.331  1.0
  Al  Al6  1  0.671  0.162  0.669  1.0
  Al  Al7  1  0.500  0.500  0.500  1.0
  Fe  Fe8  1  0.498  0.498  0.125  1.0
  Fe  Fe9  1  0.835  0.835  0.459  1.0
  Fe  Fe10  1  0.166  0.166  0.788  1.0
  Fe  Fe11  1  0.502  0.502  0.875  1.0
  Fe  Fe12  1  0.834  0.834  0.212  1.0
  Fe  Fe13  1  0.165  0.165  0.541  1.0
  O  O14  1  0.325  0.325  0.070  1.0
  O  O15  1  0.652  0.652  0.415  1.0
  O  O16  1  0.993  0.993  0.738  1.0
  O  O17  1  0.154  0.674  0.931  1.0
  O  O18  1  0.501  0.975  0.256  1.0
  O  O19  1  0.803  0.324  0.580  1.0
  O  O20  1  0.674  0.154  0.931  1.0
  O  O21  1  0.975  0.501  0.256  1.0
  O  O22  1  0.324  0.803  0.580  1.0
  O  O23  1  0.834  0.834  0.073  1.0
  O  O24  1  0.155  0.155  0.407  1.0
  O  O25  1  0.484  0.484  0.742  1.0
  O  O26  1  0.326  0.846  0.069  1.0
  O  O27  1  0.676  0.197  0.420  1.0
  O  O28  1  0.025  0.499  0.744  1.0
  O  O29  1  0.166  0.166  0.927  1.0
  O  O30  1  0.516  0.516  0.258  1.0
  O  O31  1  0.845  0.845  0.593  1.0
  O  O32  1  0.675  0.675  0.930  1.0
  O  O33  1  0.007  0.007  0.262  1.0
  O  O34  1  0.348  0.348  0.585  1.0
  O  O35  1  0.846  0.326  0.069  1.0
  O  O36  1  0.197  0.676  0.420  1.0
  O  O37  1  0.499  0.025  0.744  1.0
[/CIF]
.