Na2Zr2O5 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the second Na site, Na(2) is bonded in a square co-planar geometry to four equivalent O(2) atoms. Zr(1) is bonded to one O(2) and four equivalent O(1) atoms to form distorted corner-sharing ZrO5 square pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Na(1) and two equivalent Zr(1) atoms. In the second O site, O(2) is bonded to four equivalent Na(2) and two equivalent Zr(1) atoms to form a mixture of distorted corner and edge-sharing ONa4Zr2 octahedra. The corner-sharing octahedra are not tilted.
Na2Zr2O5 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. All Na(1)-O(1) bond lengths are 2.57 Å. In the second Na site, Na(2) is bonded in a square co-planar geometry to four equivalent O(2) atoms. All Na(2)-O(2) bond lengths are 2.86 Å. Zr(1) is bonded to one O(2) and four equivalent O(1) atoms to form distorted corner-sharing ZrO5 square pyramids. The Zr(1)-O(2) bond length is 2.03 Å. All Zr(1)-O(1) bond lengths are 2.07 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Na(1) and two equivalent Zr(1) atoms. In the second O site, O(2) is bonded to four equivalent Na(2) and two equivalent Zr(1) atoms to form a mixture of distorted corner and edge-sharing ONa4Zr2 octahedra. The corner-sharing octahedra are not tilted.