The compound described by Mg2FeAl4(PO6)4 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to one O(10), one O(3), one O(6), one O(7), one O(8), and one O(9) atom to form MgO6 octahedra that share corners with two equivalent Al(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  a faceface with one Al(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. Fe(1) is bonded to two equivalent O(11), two equivalent O(3), and two equivalent O(9) atoms to form FeO6 octahedra that share corners with two equivalent Al(1)O6 octahedra, corners with four equivalent P(2)O4 tetrahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent O(11), two equivalent O(12), and two equivalent O(5) atoms to form AlO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Al(2)O6 octahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-46°. In the second Al site, Al(2) is bonded to one O(1), one O(12), one O(2), one O(4), one O(7), and one O(8) atom to form AlO6 octahedra that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(3)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-54°. In the third Al site, Al(3) is bonded to two equivalent O(10), two equivalent O(6), and two equivalent O(8) atoms to form AlO6 octahedra that share corners with two equivalent Al(2)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 44°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(2), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Al(2)O6 octahedra, and corners with two equivalent Al(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-52°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(5), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Al(2) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Al(2) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Fe(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Al(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Al(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mg(1), one Al(3), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one Al(2) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Mg(1), one Al(2), and one Al(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Mg(1), one Fe(1), and one P(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mg(1), one Al(3), and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one Al(1) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Al(1) and one Al(2) atom. is represented by the CIF file [CIF]
data_Mg2Al4Fe(PO6)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.140
_cell_length_b   7.272
_cell_length_c   11.765
_cell_angle_alpha   98.510
_cell_angle_beta   88.989
_cell_angle_gamma   110.486
_symmetry_Int_Tables_number   1
_cell_volume   407.154
_cell_formula_units_Z   1
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
  Mg  Mg0  1  0.046  0.080  0.270  1.0
  Mg  Mg1  1  0.954  0.920  0.730  1.0
  Al  Al2  1  0.000  0.500  0.000  1.0
  Al  Al3  1  0.069  0.603  0.308  1.0
  Al  Al4  1  0.931  0.397  0.692  1.0
  Al  Al5  1  0.000  0.000  0.500  1.0
  Fe  Fe6  1  0.000  0.000  0.000  1.0
  P  P7  1  0.346  0.728  0.560  1.0
  P  P8  1  0.654  0.272  0.440  1.0
  P  P9  1  0.433  0.863  0.137  1.0
  P  P10  1  0.567  0.137  0.863  1.0
  O  O11  1  0.260  0.587  0.651  1.0
  O  O12  1  0.740  0.413  0.349  1.0
  O  O13  1  0.272  0.616  0.439  1.0
  O  O14  1  0.728  0.384  0.561  1.0
  O  O15  1  0.736  0.997  0.868  1.0
  O  O16  1  0.264  0.003  0.132  1.0
  O  O17  1  0.389  0.786  0.253  1.0
  O  O18  1  0.611  0.214  0.747  1.0
  O  O19  1  0.353  0.697  0.033  1.0
  O  O20  1  0.647  0.303  0.967  1.0
  O  O21  1  0.196  0.882  0.586  1.0
  O  O22  1  0.804  0.118  0.414  1.0
  O  O23  1  0.139  0.369  0.232  1.0
  O  O24  1  0.861  0.631  0.768  1.0
  O  O25  1  0.976  0.830  0.359  1.0
  O  O26  1  0.024  0.170  0.641  1.0
  O  O27  1  0.749  0.984  0.134  1.0
  O  O28  1  0.251  0.016  0.866  1.0
  O  O29  1  0.670  0.838  0.576  1.0
  O  O30  1  0.330  0.162  0.424  1.0
  O  O31  1  0.128  0.302  0.041  1.0
  O  O32  1  0.872  0.698  0.959  1.0
  O  O33  1  0.917  0.544  0.156  1.0
  O  O34  1  0.083  0.456  0.844  1.0
[/CIF]
.
The compound described by Mg2FeAl4(PO6)4 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to one O(10), one O(3), one O(6), one O(7), one O(8), and one O(9) atom to form MgO6 octahedra that share corners with two equivalent Al(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  a faceface with one Al(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. Fe(1) is bonded to two equivalent O(11), two equivalent O(3), and two equivalent O(9) atoms to form FeO6 octahedra that share corners with two equivalent Al(1)O6 octahedra, corners with four equivalent P(2)O4 tetrahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent O(11), two equivalent O(12), and two equivalent O(5) atoms to form AlO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Al(2)O6 octahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-46°. In the second Al site, Al(2) is bonded to one O(1), one O(12), one O(2), one O(4), one O(7), and one O(8) atom to form AlO6 octahedra that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(3)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-54°. In the third Al site, Al(3) is bonded to two equivalent O(10), two equivalent O(6), and two equivalent O(8) atoms to form AlO6 octahedra that share corners with two equivalent Al(2)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 44°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(2), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Al(2)O6 octahedra, and corners with two equivalent Al(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-52°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(5), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, and corners with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Al(2) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Al(2) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Fe(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Al(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Al(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mg(1), one Al(3), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one Al(2) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Mg(1), one Al(2), and one Al(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Mg(1), one Fe(1), and one P(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mg(1), one Al(3), and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one Al(1) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Al(1) and one Al(2) atom. is represented by the CIF file [CIF]
data_Mg2Al4Fe(PO6)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.140
_cell_length_b   7.272
_cell_length_c   11.765
_cell_angle_alpha   98.510
_cell_angle_beta   88.989
_cell_angle_gamma   110.486
_symmetry_Int_Tables_number   1
_cell_volume   407.154
_cell_formula_units_Z   1
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
  Mg  Mg0  1  0.046  0.080  0.270  1.0
  Mg  Mg1  1  0.954  0.920  0.730  1.0
  Al  Al2  1  0.000  0.500  0.000  1.0
  Al  Al3  1  0.069  0.603  0.308  1.0
  Al  Al4  1  0.931  0.397  0.692  1.0
  Al  Al5  1  0.000  0.000  0.500  1.0
  Fe  Fe6  1  0.000  0.000  0.000  1.0
  P  P7  1  0.346  0.728  0.560  1.0
  P  P8  1  0.654  0.272  0.440  1.0
  P  P9  1  0.433  0.863  0.137  1.0
  P  P10  1  0.567  0.137  0.863  1.0
  O  O11  1  0.260  0.587  0.651  1.0
  O  O12  1  0.740  0.413  0.349  1.0
  O  O13  1  0.272  0.616  0.439  1.0
  O  O14  1  0.728  0.384  0.561  1.0
  O  O15  1  0.736  0.997  0.868  1.0
  O  O16  1  0.264  0.003  0.132  1.0
  O  O17  1  0.389  0.786  0.253  1.0
  O  O18  1  0.611  0.214  0.747  1.0
  O  O19  1  0.353  0.697  0.033  1.0
  O  O20  1  0.647  0.303  0.967  1.0
  O  O21  1  0.196  0.882  0.586  1.0
  O  O22  1  0.804  0.118  0.414  1.0
  O  O23  1  0.139  0.369  0.232  1.0
  O  O24  1  0.861  0.631  0.768  1.0
  O  O25  1  0.976  0.830  0.359  1.0
  O  O26  1  0.024  0.170  0.641  1.0
  O  O27  1  0.749  0.984  0.134  1.0
  O  O28  1  0.251  0.016  0.866  1.0
  O  O29  1  0.670  0.838  0.576  1.0
  O  O30  1  0.330  0.162  0.424  1.0
  O  O31  1  0.128  0.302  0.041  1.0
  O  O32  1  0.872  0.698  0.959  1.0
  O  O33  1  0.917  0.544  0.156  1.0
  O  O34  1  0.083  0.456  0.844  1.0
[/CIF]
.