Materials Data on Tb2Bi2O7 by Materials Project
Tb2Bi2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Tb4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.37 Å) and six longer (2.52 Å) Tb–O bond lengths. Bi3+ is bonded to six equivalent O2- atoms to form distorted corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 60°. All Bi–O bond lengths are 2.24 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Tb4+ and two equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OTb2Bi2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Tb4+ atoms to form a mixture of edge and corner-sharing OTb4 tetrahedra.