Materials Data on RhPb2F7 by Materials Project

Abstract

RhPb2F7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rh3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Rh–F bond distances ranging from 2.00–2.04 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to eight F1- atoms. There are a spread of Pb–F bond distances ranging from 2.42–3.07 Å. In the second Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Pb–F bond distances ranging from 2.38–2.89 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to one Rh3+ and two Pb2+ atoms. In the second F1- site, F1- is bonded in a 1-coordinate geometry to one Rh3+ and two equivalent Pb2+ atoms. In the third F1- site, F1- is bonded in a 1-coordinate geometry to one Rh3+ and three Pb2+ atoms. In the fourth F1- site, F1- is bonded in a 1-coordinate geometry to one Rh3+ and three Pb2+ atoms. In the fifth F1- site, F1- is bonded in a distorted water-like geometry to one Rh3+ and one Pb2+ atom. In the sixth F1- site, F1- is bonded in a trigonal planar geometry to three Pb2+ atoms. In the seventh F1- site, F1- is bonded in a 3-coordinate geometry to one Rh3+ and two Pb2+ atoms.