Sr2Pr(FeO3)3 crystallizes in the monoclinic C2/m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(5), two equivalent O(3), three equivalent O(4), and six equivalent O(1) atoms to form distorted SrO12 cuboctahedra that share corners with three equivalent Sr(2)O12 cuboctahedra, corners with three equivalent Pr(1)O12 cuboctahedra, corners with six equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Pr(1)O12 cuboctahedra,  a faceface with one Fe(4)O6 octahedra, faces with three equivalent Fe(3)O6 octahedra, and faces with four equivalent Fe(1)O6 octahedra. In the second Sr site, Sr(2) is bonded to one O(5), two equivalent O(3), three equivalent O(6), and six equivalent O(2) atoms to form distorted SrO12 cuboctahedra that share corners with three equivalent Sr(1)O12 cuboctahedra, corners with three equivalent Pr(1)O12 cuboctahedra, corners with six equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Pr(1)O12 cuboctahedra,  a faceface with one Fe(1)O6 octahedra, faces with three equivalent Fe(2)O6 octahedra, and faces with four equivalent Fe(4)O6 octahedra. Pr(1) is bonded to one O(4), one O(6), two equivalent O(1), two equivalent O(2), two equivalent O(5), and four equivalent O(3) atoms to form distorted PrO12 cuboctahedra that share corners with three equivalent Sr(1)O12 cuboctahedra, corners with three equivalent Sr(2)O12 cuboctahedra, corners with six equivalent Pr(1)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra,  a faceface with one Fe(2)O6 octahedra,  a faceface with one Fe(3)O6 octahedra, faces with three equivalent Fe(1)O6 octahedra, and faces with three equivalent Fe(4)O6 octahedra. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with three equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra,  a faceface with one Sr(2)O12 cuboctahedra, faces with three equivalent Pr(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 12-14°. In the second Fe site, Fe(2) is bonded to two equivalent O(6) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with six equivalent Fe(4)O6 octahedra, faces with two equivalent Pr(1)O12 cuboctahedra, and faces with six equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 8-19°. In the third Fe site, Fe(3) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra, faces with two equivalent Pr(1)O12 cuboctahedra, and faces with six equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 12-14°. In the fourth Fe site, Fe(4) is bonded to one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  a faceface with one Sr(1)O12 cuboctahedra, faces with three equivalent Pr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 8-19°. There are six inequivalent O sites. In the first O site, O(4) is bonded in a 2-coordinate geometry to three equivalent Sr(1), one Pr(1), one Fe(1), and one Fe(3) atom. In the second O site, O(5) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), two equivalent Pr(1), one Fe(1), and one Fe(4) atom. In the third O site, O(6) is bonded in a 2-coordinate geometry to three equivalent Sr(2), one Pr(1), one Fe(2), and one Fe(4) atom. In the fourth O site, O(1) is bonded in a 6-coordinate geometry to three equivalent Sr(1), one Pr(1), one Fe(1), and one Fe(3) atom. In the fifth O site, O(2) is bonded to three equivalent Sr(2), one Pr(1), one Fe(2), and one Fe(4) atom to form a mixture of distorted corner, face, and edge-sharing OSr3PrFe2 octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the sixth O site, O(3) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), two equivalent Pr(1), one Fe(1), and one Fe(4) atom.
Sr2Pr(FeO3)3 crystallizes in the monoclinic C2/m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(5), two equivalent O(3), three equivalent O(4), and six equivalent O(1) atoms to form distorted SrO12 cuboctahedra that share corners with three equivalent Sr(2)O12 cuboctahedra, corners with three equivalent Pr(1)O12 cuboctahedra, corners with six equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Pr(1)O12 cuboctahedra,  a faceface with one Fe(4)O6 octahedra, faces with three equivalent Fe(3)O6 octahedra, and faces with four equivalent Fe(1)O6 octahedra. The Sr(1)-O(5) bond length is 3.01 Å. Both Sr(1)-O(3) bond lengths are 2.65 Å. There is one shorter (2.58 Å) and two longer (2.77 Å) Sr(1)-O(4) bond lengths. There are a spread of Sr(1)-O(1) bond distances ranging from 2.67-2.97 Å. In the second Sr site, Sr(2) is bonded to one O(5), two equivalent O(3), three equivalent O(6), and six equivalent O(2) atoms to form distorted SrO12 cuboctahedra that share corners with three equivalent Sr(1)O12 cuboctahedra, corners with three equivalent Pr(1)O12 cuboctahedra, corners with six equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Pr(1)O12 cuboctahedra,  a faceface with one Fe(1)O6 octahedra, faces with three equivalent Fe(2)O6 octahedra, and faces with four equivalent Fe(4)O6 octahedra. The Sr(2)-O(5) bond length is 2.56 Å. Both Sr(2)-O(3) bond lengths are 2.89 Å. There are two shorter (2.78 Å) and one longer (3.11 Å) Sr(2)-O(6) bond length. There are a spread of Sr(2)-O(2) bond distances ranging from 2.67-2.87 Å. Pr(1) is bonded to one O(4), one O(6), two equivalent O(1), two equivalent O(2), two equivalent O(5), and four equivalent O(3) atoms to form distorted PrO12 cuboctahedra that share corners with three equivalent Sr(1)O12 cuboctahedra, corners with three equivalent Sr(2)O12 cuboctahedra, corners with six equivalent Pr(1)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra,  a faceface with one Fe(2)O6 octahedra,  a faceface with one Fe(3)O6 octahedra, faces with three equivalent Fe(1)O6 octahedra, and faces with three equivalent Fe(4)O6 octahedra. The Pr(1)-O(4) bond length is 2.94 Å. The Pr(1)-O(6) bond length is 2.51 Å. Both Pr(1)-O(1) bond lengths are 2.58 Å. Both Pr(1)-O(2) bond lengths are 2.82 Å. Both Pr(1)-O(5) bond lengths are 2.78 Å. There are two shorter (2.53 Å) and two longer (3.02 Å) Pr(1)-O(3) bond lengths. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with three equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra,  a faceface with one Sr(2)O12 cuboctahedra, faces with three equivalent Pr(1)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 12-14°. The Fe(1)-O(4) bond length is 1.95 Å. The Fe(1)-O(5) bond length is 1.96 Å. Both Fe(1)-O(1) bond lengths are 1.96 Å. Both Fe(1)-O(3) bond lengths are 1.99 Å. In the second Fe site, Fe(2) is bonded to two equivalent O(6) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with six equivalent Fe(4)O6 octahedra, faces with two equivalent Pr(1)O12 cuboctahedra, and faces with six equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 8-19°. Both Fe(2)-O(6) bond lengths are 1.98 Å. All Fe(2)-O(2) bond lengths are 1.97 Å. In the third Fe site, Fe(3) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra, faces with two equivalent Pr(1)O12 cuboctahedra, and faces with six equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 12-14°. Both Fe(3)-O(4) bond lengths are 1.96 Å. All Fe(3)-O(1) bond lengths are 1.98 Å. In the fourth Fe site, Fe(4) is bonded to one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  a faceface with one Sr(1)O12 cuboctahedra, faces with three equivalent Pr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 8-19°. The Fe(4)-O(5) bond length is 1.98 Å. The Fe(4)-O(6) bond length is 1.96 Å. Both Fe(4)-O(2) bond lengths are 1.96 Å. Both Fe(4)-O(3) bond lengths are 1.97 Å. There are six inequivalent O sites. In the first O site, O(4) is bonded in a 2-coordinate geometry to three equivalent Sr(1), one Pr(1), one Fe(1), and one Fe(3) atom. In the second O site, O(5) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), two equivalent Pr(1), one Fe(1), and one Fe(4) atom. In the third O site, O(6) is bonded in a 2-coordinate geometry to three equivalent Sr(2), one Pr(1), one Fe(2), and one Fe(4) atom. In the fourth O site, O(1) is bonded in a 6-coordinate geometry to three equivalent Sr(1), one Pr(1), one Fe(1), and one Fe(3) atom. In the fifth O site, O(2) is bonded to three equivalent Sr(2), one Pr(1), one Fe(2), and one Fe(4) atom to form a mixture of distorted corner, face, and edge-sharing OSr3PrFe2 octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the sixth O site, O(3) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), two equivalent Pr(1), one Fe(1), and one Fe(4) atom.