Na3PrTi2Nb2O12 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 9-coordinate geometry to one O(6), one O(7), two equivalent O(3), two equivalent O(4), and three equivalent O(5) atoms. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(7) atoms. Pr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(4), and four equivalent O(6) atoms. Ti(1) is bonded to one O(1), one O(5), two equivalent O(4), and two equivalent O(6) atoms to form TiO6 octahedra that share  a cornercorner with one Nb(1)O6 octahedra and corners with five equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-26°. Nb(1) is bonded to one O(2), one O(5), two equivalent O(3), and two equivalent O(7) atoms to form NbO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra and corners with five equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-30°. There are seven inequivalent O sites. In the first O site, O(7) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(2), and two equivalent Nb(1) atoms. In the second O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Pr(1) and two equivalent Ti(1) atoms. In the third O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Na(2) and two equivalent Nb(1) atoms. In the fourth O site, O(3) is bonded in a 5-coordinate geometry to one Na(2), two equivalent Na(1), and two equivalent Nb(1) atoms. In the fifth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Na(1), one Pr(1), and two equivalent Ti(1) atoms. In the sixth O site, O(5) is bonded in a 3-coordinate geometry to three equivalent Na(1), one Ti(1), and one Nb(1) atom. In the seventh O site, O(6) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Pr(1), and two equivalent Ti(1) atoms.
Na3PrTi2Nb2O12 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 9-coordinate geometry to one O(6), one O(7), two equivalent O(3), two equivalent O(4), and three equivalent O(5) atoms. The Na(1)-O(6) bond length is 2.89 Å. The Na(1)-O(7) bond length is 2.81 Å. There is one shorter (2.38 Å) and one longer (2.87 Å) Na(1)-O(3) bond length. There is one shorter (2.45 Å) and one longer (2.84 Å) Na(1)-O(4) bond length. There are a spread of Na(1)-O(5) bond distances ranging from 2.40-2.89 Å. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(7) atoms. There is one shorter (2.45 Å) and one longer (2.53 Å) Na(2)-O(2) bond length. Both Na(2)-O(3) bond lengths are 2.71 Å. There are two shorter (2.48 Å) and two longer (2.72 Å) Na(2)-O(7) bond lengths. Pr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(4), and four equivalent O(6) atoms. There is one shorter (2.44 Å) and one longer (2.49 Å) Pr(1)-O(1) bond length. Both Pr(1)-O(4) bond lengths are 2.63 Å. There are two shorter (2.50 Å) and two longer (2.53 Å) Pr(1)-O(6) bond lengths. Ti(1) is bonded to one O(1), one O(5), two equivalent O(4), and two equivalent O(6) atoms to form TiO6 octahedra that share  a cornercorner with one Nb(1)O6 octahedra and corners with five equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-26°. The Ti(1)-O(1) bond length is 2.07 Å. The Ti(1)-O(5) bond length is 1.89 Å. There is one shorter (1.85 Å) and one longer (2.12 Å) Ti(1)-O(4) bond length. There is one shorter (1.91 Å) and one longer (2.19 Å) Ti(1)-O(6) bond length. Nb(1) is bonded to one O(2), one O(5), two equivalent O(3), and two equivalent O(7) atoms to form NbO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra and corners with five equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-30°. The Nb(1)-O(2) bond length is 2.02 Å. The Nb(1)-O(5) bond length is 2.02 Å. There is one shorter (1.91 Å) and one longer (2.13 Å) Nb(1)-O(3) bond length. There is one shorter (1.90 Å) and one longer (2.14 Å) Nb(1)-O(7) bond length. There are seven inequivalent O sites. In the first O site, O(7) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Na(2), and two equivalent Nb(1) atoms. In the second O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Pr(1) and two equivalent Ti(1) atoms. In the third O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Na(2) and two equivalent Nb(1) atoms. In the fourth O site, O(3) is bonded in a 5-coordinate geometry to one Na(2), two equivalent Na(1), and two equivalent Nb(1) atoms. In the fifth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Na(1), one Pr(1), and two equivalent Ti(1) atoms. In the sixth O site, O(5) is bonded in a 3-coordinate geometry to three equivalent Na(1), one Ti(1), and one Nb(1) atom. In the seventh O site, O(6) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Pr(1), and two equivalent Ti(1) atoms.