Materials Data on Rb2Tb3AlF16 by Materials Project

Abstract

Rb2AlTb3F16 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rb1+ is bonded in a 12-coordinate geometry to twelve F1- atoms. There are a spread of Rb–F bond distances ranging from 2.89–3.19 Å. Tb+3.67+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Tb–F bond distances ranging from 2.26–2.37 Å. Al3+ is bonded in an octahedral geometry to six equivalent F1- atoms. All Al–F bond lengths are 1.82 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted water-like geometry to two equivalent Rb1+ and two equivalent Tb+3.67+ atoms. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Rb1+ and one Al3+ atom. In the third F1- site, F1- is bonded in a distorted water-like geometry to two equivalent Rb1+ and two equivalent Tb+3.67+ atoms. In the fourth F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Tb+3.67+ atoms.