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 10-coordinate geometry to ten F atoms. There are a spread of Rb–F bond distances ranging from 2.82–3.28 Å. In the second Rb site, Rb is bonded in a 10-coordinate geometry to ten F atoms. There are a spread of Rb–F bond distances ranging from 2.82–3.32 Å. In the third Rb site, Rb is bonded in a 10-coordinate geometry to ten F atoms. There are a spread of Rb–F bond distances ranging from 2.82–3.28 Å. In the fourth Rb site, Rb is bonded in a 10-coordinate geometry to ten F atoms. There are a spread of Rb–F bond distances ranging from 2.82–3.31 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 1.73 Å. In the second F site, F is bonded to four Rb and one F atom to form distorted corner-sharing FRb4F trigonal bipyramids. The F–F bond length is 1.73 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 1.74 Å. In the fourth F site, F is bonded to four Rb and one F atom to form distorted corner-sharing FRb4F trigonal bipyramids. The F–F bond length is 1.73 Å. In the fifth F site, F is bonded in a 4-coordinate geometry to three Rb and one F atom. The F–F bond length is 1.74 Å. In the sixth F site, F is bonded in a 4-coordinate geometry to three Rb and one F atom. The F–F bond length is 1.73 Å. In the seventh F site, F is bonded in a 4-coordinate geometry to three Rb and one F atom. The F–F bond length is 1.73 Å. In the eighth F site, F is bonded in a 4-coordinate geometry to three Rb and one F atom. The F–F bond length is 1.73 Å. In the ninth F site, F is bonded in a 5-coordinate geometry to three Rb and two F atoms. In the tenth F site, F is bonded in a 5-coordinate geometry to three Rb and two F atoms. In the eleventh F site, F is bonded in a 5-coordinate geometry to three Rb and two F atoms. In the twelfth F site, F is bonded in a 5-coordinate geometry to three Rb and two F atoms.