PbZrO3 is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the orthorhombic Amm2 space group. Zr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 13-18°. Pb(1) is bonded in a distorted pentagonal planar geometry to one O(2) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Zr(1) and two equivalent Pb(1) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Zr(1) and one Pb(1) atom.
PbZrO3 is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the orthorhombic Amm2 space group. Zr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 13-18°. Both Zr(1)-O(2) bond lengths are 2.11 Å. There are two shorter (2.04 Å) and two longer (2.27 Å) Zr(1)-O(1) bond lengths. Pb(1) is bonded in a distorted pentagonal planar geometry to one O(2) and four equivalent O(1) atoms. The Pb(1)-O(2) bond length is 2.36 Å. All Pb(1)-O(1) bond lengths are 2.67 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Zr(1) and two equivalent Pb(1) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Zr(1) and one Pb(1) atom.