Materials Data on RbF3 by Materials Project

Abstract

RbF3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Rb sites. In the first Rb site, Rb is bonded in a 9-coordinate geometry to ten F atoms. There are a spread of Rb–F bond distances ranging from 2.87–3.31 Å. In the second Rb site, Rb is bonded in a 9-coordinate geometry to ten F atoms. There are a spread of Rb–F bond distances ranging from 2.87–3.31 Å. In the third Rb site, Rb is bonded in a 9-coordinate geometry to ten F atoms. There are a spread of Rb–F bond distances ranging from 2.87–3.32 Å. In the fourth Rb site, Rb is bonded in a 9-coordinate geometry to ten F atoms. There are a spread of Rb–F bond distances ranging from 2.87–3.31 Å. There are twelve inequivalent F sites. In the first F site, F is bonded in a 5-coordinate geometry to four Rb and one F atom. The F–F bond length is 1.76 Å. In the second F site, F is bonded in a 5-coordinate geometry to four Rb and one F atom. The F–F bond length is 1.76 Å. In the third F site, F is bonded in a 5-coordinate geometry to four Rb and one F atom. The F–F bond length is 1.75 Å. In the fourth F site, F is bonded in a 5-coordinate geometry to four Rb and one F atom. The F–F bond length is 1.75 Å. In the fifth F site, F is bonded in a 2-coordinate geometry to three Rb and one F atom. The F–F bond length is 1.72 Å. In the sixth F site, F is bonded in a 2-coordinate geometry to three Rb and one F atom. The F–F bond length is 1.72 Å. In the seventh F site, F is bonded in a 2-coordinate geometry to three Rb and one F atom. The F–F bond length is 1.72 Å. In the eighth F site, F is bonded in a 2-coordinate geometry to three Rb and one F atom. The F–F bond length is 1.72 Å. In the ninth F site, F is bonded to three Rb and two F atoms to form distorted corner-sharing FRb3F2 trigonal bipyramids. In the tenth F site, F is bonded to three Rb and two F atoms to form distorted corner-sharing FRb3F2 trigonal bipyramids. In the eleventh F site, F is bonded to three Rb and two F atoms to form distorted corner-sharing FRb3F2 trigonal bipyramids. In the twelfth F site, F is bonded to three Rb and two F atoms to form distorted corner-sharing FRb3F2 trigonal bipyramids.