NaPrZr4O12 crystallizes in the orthorhombic Amm2 space group. Na(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(4) atoms. Pr(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(5), and four equivalent O(1) atoms. Zr(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 20-30°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Pr(1) and two equivalent Zr(1) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Pr(1) and two equivalent Zr(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1) and two equivalent Zr(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Na(1) and two equivalent Zr(1) atoms. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Pr(1) and two equivalent Zr(1) atoms.
NaPrZr4O12 crystallizes in the orthorhombic Amm2 space group. Na(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(4) atoms. Both Na(1)-O(3) bond lengths are 2.40 Å. Both Na(1)-O(4) bond lengths are 2.38 Å. Pr(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(5), and four equivalent O(1) atoms. Both Pr(1)-O(2) bond lengths are 2.49 Å. Both Pr(1)-O(5) bond lengths are 2.60 Å. All Pr(1)-O(1) bond lengths are 2.50 Å. Zr(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 20-30°. The Zr(1)-O(2) bond length is 2.19 Å. The Zr(1)-O(3) bond length is 2.04 Å. The Zr(1)-O(4) bond length is 2.04 Å. The Zr(1)-O(5) bond length is 2.24 Å. There is one shorter (2.09 Å) and one longer (2.13 Å) Zr(1)-O(1) bond length. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Pr(1) and two equivalent Zr(1) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Pr(1) and two equivalent Zr(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1) and two equivalent Zr(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Na(1) and two equivalent Zr(1) atoms. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Pr(1) and two equivalent Zr(1) atoms.