PbTiO3 is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the tetragonal P4mm space group. Ti(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. Pb(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ti(1) and two equivalent Pb(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ti(1) and four equivalent Pb(1) atoms.
PbTiO3 is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the tetragonal P4mm space group. Ti(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. There is one shorter (1.77 Å) and one longer (2.51 Å) Ti(1)-O(2) bond length. All Ti(1)-O(1) bond lengths are 1.98 Å. Pb(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. All Pb(1)-O(1) bond lengths are 2.51 Å. All Pb(1)-O(2) bond lengths are 2.80 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ti(1) and two equivalent Pb(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Ti(1) and four equivalent Pb(1) atoms.