Materials Data on Tb2Pb2O7 by Materials Project
Tb2Pb2O7 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. Tb4+ is bonded to seven O2- atoms to form distorted TbO7 pentagonal bipyramids that share corners with three equivalent PbO5 trigonal bipyramids, edges with five equivalent TbO7 pentagonal bipyramids, and edges with three equivalent PbO5 trigonal bipyramids. There are a spread of Tb–O bond distances ranging from 2.25–2.47 Å. Pb3+ is bonded to five O2- atoms to form distorted PbO5 trigonal bipyramids that share corners with three equivalent TbO7 pentagonal bipyramids, a cornercorner with one PbO5 trigonal bipyramid, edges with three equivalent TbO7 pentagonal bipyramids, and an edgeedge with one PbO5 trigonal bipyramid. There are a spread of Pb–O bond distances ranging from 2.08–2.45 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Tb4+ and two equivalent Pb3+ atoms. In the second O2- site, O2- is bonded to three equivalent Tb4+ and one Pb3+ atom to form a mixture of distorted edge and corner-sharing OTb3Pb tetrahedra. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Tb4+ and one Pb3+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Pb3+ atoms.