The compound described by FeAl2(PO7)2O2 crystallizes in the triclinic P-1 space group. The structure consists of two hydrogen peroxide molecules inside a FeAl2(PO7)2 framework. In the FeAl2(PO7)2 framework, there are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a square co-planar geometry to two equivalent O(12) and two equivalent O(4) atoms. In the second Fe site, Fe(2) is bonded to two equivalent O(10), two equivalent O(2), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent Al(1)O5 trigonal bipyramids, and edges with two equivalent Al(2)O6 octahedra. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(10), one O(6), one O(7), and one O(9) atom to form distorted AlO5 trigonal bipyramids that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra,  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-60°. In the second Al site, Al(2) is bonded to two equivalent O(10), two equivalent O(3), and two equivalent O(5) atoms to form AlO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent Al(1)O5 trigonal bipyramids, and edges with two equivalent Fe(2)O6 octahedra. In the third Al site, Al(3) is bonded to two equivalent O(14), two equivalent O(8), and two equivalent O(9) atoms to form AlO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with two equivalent Al(1)O5 trigonal bipyramids. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra, and  a cornercorner with one Al(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 55-60°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra,  a cornercorner with one Al(3)O6 octahedra, and corners with two equivalent Al(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 46-55°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Al(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Fe(2) and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Al(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Fe(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(2), one Al(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Al(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Al(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Al(3) and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Al(1) and one Al(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Fe(2), one Al(1), and one Al(2) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one O(12) and one O(16) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one O(11) atom. In the thirteenth O site, O(14) is bonded in a single-bond geometry to one Al(3) atom. In the fourteenth O site, O(16) is bonded in a single-bond geometry to one O(11) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al2Fe(PO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.127
_cell_length_b   9.002
_cell_length_c   11.089
_cell_angle_alpha   103.322
_cell_angle_beta   97.086
_cell_angle_gamma   92.636
_symmetry_Int_Tables_number   1
_cell_volume   588.805
_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  0.814  0.304  0.689  1.0
  Al  Al1  1  0.186  0.696  0.311  1.0
  Al  Al2  1  0.500  0.000  0.500  1.0
  Al  Al3  1  0.000  0.500  0.500  1.0
  Fe  Fe4  1  0.000  0.000  0.000  1.0
  Fe  Fe5  1  0.000  0.000  0.500  1.0
  P  P6  1  0.793  0.003  0.740  1.0
  P  P7  1  0.207  0.997  0.260  1.0
  P  P8  1  0.694  0.686  0.365  1.0
  P  P9  1  0.306  0.314  0.635  1.0
  O  O10  1  0.821  0.179  0.800  1.0
  O  O11  1  0.179  0.821  0.200  1.0
  O  O12  1  0.989  0.956  0.666  1.0
  O  O13  1  0.011  0.044  0.334  1.0
  O  O14  1  0.571  0.958  0.656  1.0
  O  O15  1  0.429  0.042  0.344  1.0
  O  O16  1  0.807  0.923  0.852  1.0
  O  O17  1  0.193  0.077  0.148  1.0
  O  O18  1  0.709  0.861  0.433  1.0
  O  O19  1  0.291  0.139  0.567  1.0
  O  O20  1  0.535  0.359  0.709  1.0
  O  O21  1  0.465  0.641  0.291  1.0
  O  O22  1  0.873  0.668  0.275  1.0
  O  O23  1  0.127  0.332  0.725  1.0
  O  O24  1  0.748  0.595  0.465  1.0
  O  O25  1  0.252  0.405  0.535  1.0
  O  O26  1  0.894  0.482  0.648  1.0
  O  O27  1  0.106  0.518  0.352  1.0
  O  O28  1  0.765  0.150  0.543  1.0
  O  O29  1  0.235  0.850  0.457  1.0
  O  O30  1  0.750  0.227  0.147  1.0
  O  O31  1  0.250  0.773  0.853  1.0
  O  O32  1  0.732  0.070  0.090  1.0
  O  O33  1  0.268  0.930  0.910  1.0
  O  O34  1  0.848  0.592  0.933  1.0
  O  O35  1  0.152  0.408  0.067  1.0
  O  O36  1  0.818  0.303  0.414  1.0
  O  O37  1  0.182  0.697  0.586  1.0
  O  O38  1  0.683  0.614  0.986  1.0
  O  O39  1  0.317  0.386  0.014  1.0
  O  O40  1  0.634  0.267  0.232  1.0
  O  O41  1  0.366  0.733  0.768  1.0
[/CIF]
.
The compound described by FeAl2(PO7)2O2 crystallizes in the triclinic P-1 space group. The structure consists of two hydrogen peroxide molecules inside a FeAl2(PO7)2 framework. In the FeAl2(PO7)2 framework, there are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a square co-planar geometry to two equivalent O(12) and two equivalent O(4) atoms. In the second Fe site, Fe(2) is bonded to two equivalent O(10), two equivalent O(2), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent Al(1)O5 trigonal bipyramids, and edges with two equivalent Al(2)O6 octahedra. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(10), one O(6), one O(7), and one O(9) atom to form distorted AlO5 trigonal bipyramids that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra,  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-60°. In the second Al site, Al(2) is bonded to two equivalent O(10), two equivalent O(3), and two equivalent O(5) atoms to form AlO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent Al(1)O5 trigonal bipyramids, and edges with two equivalent Fe(2)O6 octahedra. In the third Al site, Al(3) is bonded to two equivalent O(14), two equivalent O(8), and two equivalent O(9) atoms to form AlO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with two equivalent Al(1)O5 trigonal bipyramids. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra, and  a cornercorner with one Al(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 55-60°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra,  a cornercorner with one Al(3)O6 octahedra, and corners with two equivalent Al(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 46-55°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Al(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Fe(2) and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Al(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Fe(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(2), one Al(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Al(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Al(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Al(3) and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Al(1) and one Al(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Fe(2), one Al(1), and one Al(2) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one O(12) and one O(16) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one O(11) atom. In the thirteenth O site, O(14) is bonded in a single-bond geometry to one Al(3) atom. In the fourteenth O site, O(16) is bonded in a single-bond geometry to one O(11) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Al2Fe(PO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.127
_cell_length_b   9.002
_cell_length_c   11.089
_cell_angle_alpha   103.322
_cell_angle_beta   97.086
_cell_angle_gamma   92.636
_symmetry_Int_Tables_number   1
_cell_volume   588.805
_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  0.814  0.304  0.689  1.0
  Al  Al1  1  0.186  0.696  0.311  1.0
  Al  Al2  1  0.500  0.000  0.500  1.0
  Al  Al3  1  0.000  0.500  0.500  1.0
  Fe  Fe4  1  0.000  0.000  0.000  1.0
  Fe  Fe5  1  0.000  0.000  0.500  1.0
  P  P6  1  0.793  0.003  0.740  1.0
  P  P7  1  0.207  0.997  0.260  1.0
  P  P8  1  0.694  0.686  0.365  1.0
  P  P9  1  0.306  0.314  0.635  1.0
  O  O10  1  0.821  0.179  0.800  1.0
  O  O11  1  0.179  0.821  0.200  1.0
  O  O12  1  0.989  0.956  0.666  1.0
  O  O13  1  0.011  0.044  0.334  1.0
  O  O14  1  0.571  0.958  0.656  1.0
  O  O15  1  0.429  0.042  0.344  1.0
  O  O16  1  0.807  0.923  0.852  1.0
  O  O17  1  0.193  0.077  0.148  1.0
  O  O18  1  0.709  0.861  0.433  1.0
  O  O19  1  0.291  0.139  0.567  1.0
  O  O20  1  0.535  0.359  0.709  1.0
  O  O21  1  0.465  0.641  0.291  1.0
  O  O22  1  0.873  0.668  0.275  1.0
  O  O23  1  0.127  0.332  0.725  1.0
  O  O24  1  0.748  0.595  0.465  1.0
  O  O25  1  0.252  0.405  0.535  1.0
  O  O26  1  0.894  0.482  0.648  1.0
  O  O27  1  0.106  0.518  0.352  1.0
  O  O28  1  0.765  0.150  0.543  1.0
  O  O29  1  0.235  0.850  0.457  1.0
  O  O30  1  0.750  0.227  0.147  1.0
  O  O31  1  0.250  0.773  0.853  1.0
  O  O32  1  0.732  0.070  0.090  1.0
  O  O33  1  0.268  0.930  0.910  1.0
  O  O34  1  0.848  0.592  0.933  1.0
  O  O35  1  0.152  0.408  0.067  1.0
  O  O36  1  0.818  0.303  0.414  1.0
  O  O37  1  0.182  0.697  0.586  1.0
  O  O38  1  0.683  0.614  0.986  1.0
  O  O39  1  0.317  0.386  0.014  1.0
  O  O40  1  0.634  0.267  0.232  1.0
  O  O41  1  0.366  0.733  0.768  1.0
[/CIF]
.