SrPrAlO4 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4mm space group. Sr(1) is bonded in a 9-coordinate geometry to one O(1), four equivalent O(2), and four equivalent O(3) atoms. Pr(1) is bonded in a 9-coordinate geometry to one O(2), four equivalent O(1), and four equivalent O(3) atoms. Al(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), four equivalent Pr(1), and one Al(1) atom to form distorted OSrPr4Al octahedra that share  a cornercorner with one O(2)Sr4PrAl octahedra, corners with four equivalent O(1)SrPr4Al octahedra, corners with twelve equivalent O(3)Sr2Pr2Al2 octahedra, edges with four equivalent O(2)Sr4PrAl octahedra, edges with four equivalent O(1)SrPr4Al octahedra, and faces with four equivalent O(3)Sr2Pr2Al2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the second O site, O(2) is bonded to four equivalent Sr(1), one Pr(1), and one Al(1) atom to form distorted OSr4PrAl octahedra that share  a cornercorner with one O(1)SrPr4Al octahedra, corners with four equivalent O(2)Sr4PrAl octahedra, corners with twelve equivalent O(3)Sr2Pr2Al2 octahedra, edges with four equivalent O(2)Sr4PrAl octahedra, edges with four equivalent O(1)SrPr4Al octahedra, and faces with four equivalent O(3)Sr2Pr2Al2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Pr(1), and two equivalent Al(1) atoms to form distorted OSr2Pr2Al2 octahedra that share corners with two equivalent O(3)Sr2Pr2Al2 octahedra, corners with six equivalent O(2)Sr4PrAl octahedra, corners with six equivalent O(1)SrPr4Al octahedra, edges with two equivalent O(3)Sr2Pr2Al2 octahedra, faces with two equivalent O(2)Sr4PrAl octahedra, faces with two equivalent O(1)SrPr4Al octahedra, and faces with four equivalent O(3)Sr2Pr2Al2 octahedra. The corner-sharing octahedral tilt angles range from 8-55°.
SrPrAlO4 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4mm space group. Sr(1) is bonded in a 9-coordinate geometry to one O(1), four equivalent O(2), and four equivalent O(3) atoms. The Sr(1)-O(1) bond length is 2.45 Å. All Sr(1)-O(2) bond lengths are 2.69 Å. All Sr(1)-O(3) bond lengths are 2.65 Å. Pr(1) is bonded in a 9-coordinate geometry to one O(2), four equivalent O(1), and four equivalent O(3) atoms. The Pr(1)-O(2) bond length is 2.44 Å. All Pr(1)-O(1) bond lengths are 2.69 Å. All Pr(1)-O(3) bond lengths are 2.53 Å. Al(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 8°. The Al(1)-O(1) bond length is 2.07 Å. The Al(1)-O(2) bond length is 2.00 Å. All Al(1)-O(3) bond lengths are 1.89 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), four equivalent Pr(1), and one Al(1) atom to form distorted OSrPr4Al octahedra that share  a cornercorner with one O(2)Sr4PrAl octahedra, corners with four equivalent O(1)SrPr4Al octahedra, corners with twelve equivalent O(3)Sr2Pr2Al2 octahedra, edges with four equivalent O(2)Sr4PrAl octahedra, edges with four equivalent O(1)SrPr4Al octahedra, and faces with four equivalent O(3)Sr2Pr2Al2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the second O site, O(2) is bonded to four equivalent Sr(1), one Pr(1), and one Al(1) atom to form distorted OSr4PrAl octahedra that share  a cornercorner with one O(1)SrPr4Al octahedra, corners with four equivalent O(2)Sr4PrAl octahedra, corners with twelve equivalent O(3)Sr2Pr2Al2 octahedra, edges with four equivalent O(2)Sr4PrAl octahedra, edges with four equivalent O(1)SrPr4Al octahedra, and faces with four equivalent O(3)Sr2Pr2Al2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Pr(1), and two equivalent Al(1) atoms to form distorted OSr2Pr2Al2 octahedra that share corners with two equivalent O(3)Sr2Pr2Al2 octahedra, corners with six equivalent O(2)Sr4PrAl octahedra, corners with six equivalent O(1)SrPr4Al octahedra, edges with two equivalent O(3)Sr2Pr2Al2 octahedra, faces with two equivalent O(2)Sr4PrAl octahedra, faces with two equivalent O(1)SrPr4Al octahedra, and faces with four equivalent O(3)Sr2Pr2Al2 octahedra. The corner-sharing octahedral tilt angles range from 8-55°.