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.
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. The Fe(1)-O(1) bond length is 1.86 Å. The Fe(1)-O(12) bond length is 1.94 Å. The Fe(1)-O(13) bond length is 1.93 Å. The Fe(1)-O(7) bond length is 1.87 Å. 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. The Fe(2)-O(10) bond length is 2.07 Å. The Fe(2)-O(16) bond length is 2.15 Å. The Fe(2)-O(2) bond length is 1.91 Å. The Fe(2)-O(4) bond length is 1.93 Å. The Fe(2)-O(5) bond length is 1.91 Å. The Fe(2)-O(9) bond length is 2.35 Å. 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. The Fe(3)-O(10) bond length is 2.27 Å. The Fe(3)-O(15) bond length is 2.15 Å. The Fe(3)-O(3) bond length is 1.94 Å. The Fe(3)-O(6) bond length is 1.92 Å. The Fe(3)-O(8) bond length is 1.92 Å. The Fe(3)-O(9) bond length is 2.07 Å. 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. The P(1)-O(1) bond length is 1.56 Å. The P(1)-O(2) bond length is 1.54 Å. The P(1)-O(3) bond length is 1.55 Å. The P(1)-O(4) bond length is 1.55 Å. 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. The P(2)-O(5) bond length is 1.55 Å. The P(2)-O(6) bond length is 1.53 Å. The P(2)-O(7) bond length is 1.56 Å. The P(2)-O(8) bond length is 1.56 Å. 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. The O(9)-O(16) bond length is 1.32 Å. 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. The O(10)-O(15) bond length is 1.33 Å. In the eleventh O site, O(12) is bonded in a distorted water-like geometry to one Fe(1) and one O(13) atom. The O(12)-O(13) bond length is 1.35 Å. 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.