PrSrScO4 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(2), four equivalent O(1), and four equivalent O(3) atoms. Pr(1) is bonded in a 9-coordinate geometry to one O(3), four equivalent O(1), and four equivalent O(2) atoms. Sc(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles are 11°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Pr(1), and two equivalent Sc(1) atoms to form distorted OSr2Pr2Sc2 octahedra that share corners with two equivalent O(1)Sr2Pr2Sc2 octahedra, corners with six equivalent O(3)Sr4PrSc octahedra, corners with six equivalent O(2)SrPr4Sc octahedra, edges with two equivalent O(1)Sr2Pr2Sc2 octahedra, faces with two equivalent O(3)Sr4PrSc octahedra, faces with two equivalent O(2)SrPr4Sc octahedra, and faces with four equivalent O(1)Sr2Pr2Sc2 octahedra. The corner-sharing octahedral tilt angles range from 11-54°. In the second O site, O(2) is bonded to one Sr(1), four equivalent Pr(1), and one Sc(1) atom to form distorted OSrPr4Sc octahedra that share  a cornercorner with one O(3)Sr4PrSc octahedra, corners with four equivalent O(2)SrPr4Sc octahedra, corners with twelve equivalent O(1)Sr2Pr2Sc2 octahedra, edges with four equivalent O(3)Sr4PrSc octahedra, edges with four equivalent O(2)SrPr4Sc octahedra, and faces with four equivalent O(1)Sr2Pr2Sc2 octahedra. The corner-sharing octahedral tilt angles range from 0-51°. In the third O site, O(3) is bonded to four equivalent Sr(1), one Pr(1), and one Sc(1) atom to form distorted OSr4PrSc octahedra that share  a cornercorner with one O(2)SrPr4Sc octahedra, corners with four equivalent O(3)Sr4PrSc octahedra, corners with twelve equivalent O(1)Sr2Pr2Sc2 octahedra, edges with four equivalent O(3)Sr4PrSc octahedra, edges with four equivalent O(2)SrPr4Sc octahedra, and faces with four equivalent O(1)Sr2Pr2Sc2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°.
PrSrScO4 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(2), four equivalent O(1), and four equivalent O(3) atoms. The Sr(1)-O(2) bond length is 2.33 Å. All Sr(1)-O(1) bond lengths are 2.83 Å. All Sr(1)-O(3) bond lengths are 2.88 Å. Pr(1) is bonded in a 9-coordinate geometry to one O(3), four equivalent O(1), and four equivalent O(2) atoms. The Pr(1)-O(3) bond length is 2.33 Å. All Pr(1)-O(1) bond lengths are 2.59 Å. All Pr(1)-O(2) bond lengths are 2.88 Å. Sc(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles are 11°. The Sc(1)-O(2) bond length is 2.19 Å. The Sc(1)-O(3) bond length is 2.16 Å. All Sc(1)-O(1) bond lengths are 2.03 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Pr(1), and two equivalent Sc(1) atoms to form distorted OSr2Pr2Sc2 octahedra that share corners with two equivalent O(1)Sr2Pr2Sc2 octahedra, corners with six equivalent O(3)Sr4PrSc octahedra, corners with six equivalent O(2)SrPr4Sc octahedra, edges with two equivalent O(1)Sr2Pr2Sc2 octahedra, faces with two equivalent O(3)Sr4PrSc octahedra, faces with two equivalent O(2)SrPr4Sc octahedra, and faces with four equivalent O(1)Sr2Pr2Sc2 octahedra. The corner-sharing octahedral tilt angles range from 11-54°. In the second O site, O(2) is bonded to one Sr(1), four equivalent Pr(1), and one Sc(1) atom to form distorted OSrPr4Sc octahedra that share  a cornercorner with one O(3)Sr4PrSc octahedra, corners with four equivalent O(2)SrPr4Sc octahedra, corners with twelve equivalent O(1)Sr2Pr2Sc2 octahedra, edges with four equivalent O(3)Sr4PrSc octahedra, edges with four equivalent O(2)SrPr4Sc octahedra, and faces with four equivalent O(1)Sr2Pr2Sc2 octahedra. The corner-sharing octahedral tilt angles range from 0-51°. In the third O site, O(3) is bonded to four equivalent Sr(1), one Pr(1), and one Sc(1) atom to form distorted OSr4PrSc octahedra that share  a cornercorner with one O(2)SrPr4Sc octahedra, corners with four equivalent O(3)Sr4PrSc octahedra, corners with twelve equivalent O(1)Sr2Pr2Sc2 octahedra, edges with four equivalent O(3)Sr4PrSc octahedra, edges with four equivalent O(2)SrPr4Sc octahedra, and faces with four equivalent O(1)Sr2Pr2Sc2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°.