Materials Data on RbPrNb2O7 by Materials Project
RbPrNb2O7 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Rb1+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. There are a spread of Rb–O bond distances ranging from 3.15–3.19 Å. Pr3+ is bonded to twelve O2- atoms to form a mixture of distorted corner and face-sharing PrO12 cuboctahedra. There are a spread of Pr–O bond distances ranging from 2.53–3.05 Å. Nb5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.81–2.31 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Pr3+ and two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to four equivalent Rb1+ and one Nb5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Pr3+ and two equivalent Nb5+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Pr3+ and two equivalent Nb5+ atoms.