Materials Data on RbNd2I5 by Materials Project
RbNd2I5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine I1- atoms. There are a spread of Rb–I bond distances ranging from 3.65–4.27 Å. There are two inequivalent Nd2+ sites. In the first Nd2+ site, Nd2+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Nd–I bond distances ranging from 3.25–3.63 Å. In the second Nd2+ site, Nd2+ is bonded to seven I1- atoms to form distorted edge-sharing NdI7 pentagonal bipyramids. There are a spread of Nd–I bond distances ranging from 3.22–3.43 Å. There are five inequivalent I1- sites. In the first I1- site, I1- is bonded in a 5-coordinate geometry to two equivalent Rb1+ and three Nd2+ atoms. In the second I1- site, I1- is bonded in a 4-coordinate geometry to four Nd2+ atoms. In the third I1- site, I1- is bonded to two equivalent Rb1+ and three Nd2+ atoms to form distorted corner-sharing IRb2Nd3 trigonal bipyramids. In the fourth I1- site, I1- is bonded in a 5-coordinate geometry to two equivalent Rb1+ and three Nd2+ atoms. In the fifth I1- site, I1- is bonded in a 4-coordinate geometry to three equivalent Rb1+ and two equivalent Nd2+ atoms.