Materials Data on RbBiF3 by Materials Project

Abstract

RbBiF3 crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one RbBiF3 sheet oriented in the (0, 0, 1) direction. Rb1+ is bonded in a 4-coordinate geometry to four equivalent F1- atoms. All Rb–F bond lengths are 2.81 Å. Bi2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are four shorter (2.42 Å) and four longer (2.62 Å) Bi–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent Rb1+ and two equivalent Bi2+ atoms to form a mixture of distorted edge and corner-sharing FRb2Bi2 tetrahedra. In the second F1- site, F1- is bonded to four equivalent Bi2+ atoms to form a mixture of edge and corner-sharing FBi4 tetrahedra.