Na2MgPr2Ti2O8 crystallizes in the tetragonal P-4m2 space group. Na(1) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(1), and two equivalent O(2) atoms. Mg(1) is bonded in a 4-coordinate geometry to four equivalent O(4) atoms. Pr(1) is bonded in a 9-coordinate geometry to two equivalent O(1), two equivalent O(2), and five equivalent O(3) atoms. Ti(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 5-17°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Na(1), two equivalent Pr(1), and two equivalent Ti(1) atoms to form distorted ONa2Pr2Ti2 octahedra that share corners with two equivalent O(1)Na2Pr2Ti2 octahedra, corners with six equivalent O(3)Pr5Ti octahedra, edges with two equivalent O(1)Na2Pr2Ti2 octahedra, faces with two equivalent O(3)Pr5Ti octahedra, and faces with four equivalent O(2)Na2Pr2Ti2 octahedra. The corner-sharing octahedral tilt angles range from 17-51°. In the second O site, O(2) is bonded to two equivalent Na(1), two equivalent Pr(1), and two equivalent Ti(1) atoms to form distorted ONa2Pr2Ti2 octahedra that share corners with two equivalent O(2)Na2Pr2Ti2 octahedra, corners with six equivalent O(3)Pr5Ti octahedra, edges with two equivalent O(2)Na2Pr2Ti2 octahedra, faces with two equivalent O(3)Pr5Ti octahedra, and faces with four equivalent O(1)Na2Pr2Ti2 octahedra. The corner-sharing octahedral tilt angles range from 5-52°. In the third O site, O(3) is bonded to five equivalent Pr(1) and one Ti(1) atom to form distorted OPr5Ti octahedra that share corners with four equivalent O(3)Pr5Ti octahedra, corners with six equivalent O(1)Na2Pr2Ti2 octahedra, corners with six equivalent O(2)Na2Pr2Ti2 octahedra, edges with eight equivalent O(3)Pr5Ti octahedra, faces with two equivalent O(1)Na2Pr2Ti2 octahedra, and faces with two equivalent O(2)Na2Pr2Ti2 octahedra. The corner-sharing octahedral tilt angles range from 16-52°. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Mg(1), and one Ti(1) atom.
Na2MgPr2Ti2O8 crystallizes in the tetragonal P-4m2 space group. Na(1) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(1), and two equivalent O(2) atoms. The Na(1)-O(4) bond length is 2.49 Å. Both Na(1)-O(1) bond lengths are 2.47 Å. Both Na(1)-O(2) bond lengths are 2.35 Å. Mg(1) is bonded in a 4-coordinate geometry to four equivalent O(4) atoms. All Mg(1)-O(4) bond lengths are 2.12 Å. Pr(1) is bonded in a 9-coordinate geometry to two equivalent O(1), two equivalent O(2), and five equivalent O(3) atoms. Both Pr(1)-O(1) bond lengths are 2.52 Å. Both Pr(1)-O(2) bond lengths are 2.66 Å. There is one shorter (2.32 Å) and four longer (2.80 Å) Pr(1)-O(3) bond lengths. Ti(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 5-17°. The Ti(1)-O(3) bond length is 2.26 Å. The Ti(1)-O(4) bond length is 2.06 Å. Both Ti(1)-O(1) bond lengths are 1.98 Å. Both Ti(1)-O(2) bond lengths are 1.96 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Na(1), two equivalent Pr(1), and two equivalent Ti(1) atoms to form distorted ONa2Pr2Ti2 octahedra that share corners with two equivalent O(1)Na2Pr2Ti2 octahedra, corners with six equivalent O(3)Pr5Ti octahedra, edges with two equivalent O(1)Na2Pr2Ti2 octahedra, faces with two equivalent O(3)Pr5Ti octahedra, and faces with four equivalent O(2)Na2Pr2Ti2 octahedra. The corner-sharing octahedral tilt angles range from 17-51°. In the second O site, O(2) is bonded to two equivalent Na(1), two equivalent Pr(1), and two equivalent Ti(1) atoms to form distorted ONa2Pr2Ti2 octahedra that share corners with two equivalent O(2)Na2Pr2Ti2 octahedra, corners with six equivalent O(3)Pr5Ti octahedra, edges with two equivalent O(2)Na2Pr2Ti2 octahedra, faces with two equivalent O(3)Pr5Ti octahedra, and faces with four equivalent O(1)Na2Pr2Ti2 octahedra. The corner-sharing octahedral tilt angles range from 5-52°. In the third O site, O(3) is bonded to five equivalent Pr(1) and one Ti(1) atom to form distorted OPr5Ti octahedra that share corners with four equivalent O(3)Pr5Ti octahedra, corners with six equivalent O(1)Na2Pr2Ti2 octahedra, corners with six equivalent O(2)Na2Pr2Ti2 octahedra, edges with eight equivalent O(3)Pr5Ti octahedra, faces with two equivalent O(1)Na2Pr2Ti2 octahedra, and faces with two equivalent O(2)Na2Pr2Ti2 octahedra. The corner-sharing octahedral tilt angles range from 16-52°. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Mg(1), and one Ti(1) atom.