The compound described by Fe3(PO7)2O2 crystallizes in the triclinic P-1 space group. The structure consists of two hydrogen peroxide molecules inside a Fe3(PO7)2 framework. In the Fe3(PO7)2 framework, there are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(12), one O(13), and one O(7) atom to form distorted FeO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and  a cornercorner with one P(2)O4 tetrahedra. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to one O(10), one O(16), one O(2), one O(4), one O(5), and one O(9) atom. In the third Fe site, Fe(3) is bonded in a 6-coordinate geometry to one O(10), one O(15), one O(3), one O(6), one O(8), and one O(9) atom. 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(1)O4 tetrahedra. 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(1)O4 tetrahedra. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Fe(2) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Fe(3) and one P(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Fe(2), one Fe(3), and one O(16) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Fe(2), one Fe(3), and one O(15) atom. In the eleventh O site, O(12) is bonded in a distorted water-like geometry to one Fe(1) and one O(13) atom. In the twelfth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one O(12) atom. In the thirteenth O site, O(15) is bonded in a distorted L-shaped geometry to one Fe(3) and one O(10) atom. In the fourteenth O site, O(16) is bonded in an L-shaped geometry to one Fe(2) and one O(9) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe3(PO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.806
_cell_length_b   9.370
_cell_length_c   10.429
_cell_angle_alpha   114.737
_cell_angle_beta   89.191
_cell_angle_gamma   97.691
_symmetry_Int_Tables_number   1
_cell_volume   685.817
_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
  Fe  Fe0  1  0.676  0.485  0.606  1.0
  Fe  Fe1  1  0.324  0.515  0.394  1.0
  Fe  Fe2  1  0.867  0.013  0.726  1.0
  Fe  Fe3  1  0.133  0.987  0.274  1.0
  Fe  Fe4  1  0.636  0.977  0.210  1.0
  Fe  Fe5  1  0.364  0.023  0.790  1.0
  P  P6  1  0.885  0.179  0.497  1.0
  P  P7  1  0.115  0.821  0.503  1.0
  P  P8  1  0.592  0.809  0.856  1.0
  P  P9  1  0.408  0.191  0.144  1.0
  O  O10  1  0.846  0.353  0.565  1.0
  O  O11  1  0.154  0.647  0.435  1.0
  O  O12  1  0.925  0.132  0.617  1.0
  O  O13  1  0.075  0.868  0.383  1.0
  O  O14  1  0.727  0.068  0.404  1.0
  O  O15  1  0.273  0.932  0.596  1.0
  O  O16  1  0.045  0.174  0.406  1.0
  O  O17  1  0.955  0.826  0.594  1.0
  O  O18  1  0.754  0.912  0.836  1.0
  O  O19  1  0.246  0.088  0.164  1.0
  O  O20  1  0.569  0.853  0.013  1.0
  O  O21  1  0.431  0.147  0.987  1.0
  O  O22  1  0.619  0.631  0.782  1.0
  O  O23  1  0.381  0.369  0.218  1.0
  O  O24  1  0.429  0.831  0.786  1.0
  O  O25  1  0.571  0.169  0.214  1.0
  O  O26  1  0.600  0.105  0.734  1.0
  O  O27  1  0.400  0.895  0.266  1.0
  O  O28  1  0.904  0.907  0.153  1.0
  O  O29  1  0.096  0.093  0.847  1.0
  O  O30  1  0.003  0.636  0.824  1.0
  O  O31  1  0.997  0.364  0.176  1.0
  O  O32  1  0.541  0.650  0.477  1.0
  O  O33  1  0.459  0.350  0.523  1.0
  O  O34  1  0.671  0.564  0.462  1.0
  O  O35  1  0.329  0.436  0.538  1.0
  O  O36  1  0.981  0.576  0.909  1.0
  O  O37  1  0.019  0.424  0.091  1.0
  O  O38  1  0.797  0.796  0.173  1.0
  O  O39  1  0.203  0.204  0.827  1.0
  O  O40  1  0.714  0.198  0.837  1.0
  O  O41  1  0.286  0.802  0.163  1.0
[/CIF]
.
The compound described by Fe3(PO7)2O2 crystallizes in the triclinic P-1 space group. The structure consists of two hydrogen peroxide molecules inside a Fe3(PO7)2 framework. In the Fe3(PO7)2 framework, there are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(12), one O(13), and one O(7) atom to form distorted FeO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and  a cornercorner with one P(2)O4 tetrahedra. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to one O(10), one O(16), one O(2), one O(4), one O(5), and one O(9) atom. In the third Fe site, Fe(3) is bonded in a 6-coordinate geometry to one O(10), one O(15), one O(3), one O(6), one O(8), and one O(9) atom. 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(1)O4 tetrahedra. 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(1)O4 tetrahedra. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Fe(2) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Fe(3) and one P(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Fe(2), one Fe(3), and one O(16) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Fe(2), one Fe(3), and one O(15) atom. In the eleventh O site, O(12) is bonded in a distorted water-like geometry to one Fe(1) and one O(13) atom. In the twelfth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one O(12) atom. In the thirteenth O site, O(15) is bonded in a distorted L-shaped geometry to one Fe(3) and one O(10) atom. In the fourteenth O site, O(16) is bonded in an L-shaped geometry to one Fe(2) and one O(9) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe3(PO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.806
_cell_length_b   9.370
_cell_length_c   10.429
_cell_angle_alpha   114.737
_cell_angle_beta   89.191
_cell_angle_gamma   97.691
_symmetry_Int_Tables_number   1
_cell_volume   685.817
_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
  Fe  Fe0  1  0.676  0.485  0.606  1.0
  Fe  Fe1  1  0.324  0.515  0.394  1.0
  Fe  Fe2  1  0.867  0.013  0.726  1.0
  Fe  Fe3  1  0.133  0.987  0.274  1.0
  Fe  Fe4  1  0.636  0.977  0.210  1.0
  Fe  Fe5  1  0.364  0.023  0.790  1.0
  P  P6  1  0.885  0.179  0.497  1.0
  P  P7  1  0.115  0.821  0.503  1.0
  P  P8  1  0.592  0.809  0.856  1.0
  P  P9  1  0.408  0.191  0.144  1.0
  O  O10  1  0.846  0.353  0.565  1.0
  O  O11  1  0.154  0.647  0.435  1.0
  O  O12  1  0.925  0.132  0.617  1.0
  O  O13  1  0.075  0.868  0.383  1.0
  O  O14  1  0.727  0.068  0.404  1.0
  O  O15  1  0.273  0.932  0.596  1.0
  O  O16  1  0.045  0.174  0.406  1.0
  O  O17  1  0.955  0.826  0.594  1.0
  O  O18  1  0.754  0.912  0.836  1.0
  O  O19  1  0.246  0.088  0.164  1.0
  O  O20  1  0.569  0.853  0.013  1.0
  O  O21  1  0.431  0.147  0.987  1.0
  O  O22  1  0.619  0.631  0.782  1.0
  O  O23  1  0.381  0.369  0.218  1.0
  O  O24  1  0.429  0.831  0.786  1.0
  O  O25  1  0.571  0.169  0.214  1.0
  O  O26  1  0.600  0.105  0.734  1.0
  O  O27  1  0.400  0.895  0.266  1.0
  O  O28  1  0.904  0.907  0.153  1.0
  O  O29  1  0.096  0.093  0.847  1.0
  O  O30  1  0.003  0.636  0.824  1.0
  O  O31  1  0.997  0.364  0.176  1.0
  O  O32  1  0.541  0.650  0.477  1.0
  O  O33  1  0.459  0.350  0.523  1.0
  O  O34  1  0.671  0.564  0.462  1.0
  O  O35  1  0.329  0.436  0.538  1.0
  O  O36  1  0.981  0.576  0.909  1.0
  O  O37  1  0.019  0.424  0.091  1.0
  O  O38  1  0.797  0.796  0.173  1.0
  O  O39  1  0.203  0.204  0.827  1.0
  O  O40  1  0.714  0.198  0.837  1.0
  O  O41  1  0.286  0.802  0.163  1.0
[/CIF]
.