Materials Data on CdB2XeF10 by Materials Project

Abstract

XeCdB2F10 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one XeCdB2F10 sheet oriented in the (0, 0, 1) direction. Xe is bonded in a linear geometry to two F atoms. There are one shorter (2.04 Å) and one longer (2.14 Å) Xe–F bond lengths. Cd is bonded in a 8-coordinate geometry to eight F atoms. There are a spread of Cd–F bond distances ranging from 2.31–2.42 Å. There are two inequivalent B sites. In the first B site, B is bonded in a tetrahedral geometry to four F atoms. There are a spread of B–F bond distances ranging from 1.38–1.44 Å. In the second B site, B is bonded in a tetrahedral geometry to four F atoms. There is one shorter (1.41 Å) and three longer (1.42 Å) B–F bond length. There are ten inequivalent F sites. In the first F site, F is bonded in a distorted single-bond geometry to one Cd and one B atom. In the second F site, F is bonded in a single-bond geometry to one B atom. In the third F site, F is bonded in a bent 120 degrees geometry to one Xe and one Cd atom. In the fourth F site, F is bonded in a distorted single-bond geometry to one Cd and one B atom. In the fifth F site, F is bonded in a distorted single-bond geometry to one Cd and one B atom. In the sixth F site, F is bonded in a distorted single-bond geometry to one Cd and one B atom. In the seventh F site, F is bonded in a distorted single-bond geometry to one Cd and one B atom. In the eighth F site, F is bonded in a distorted single-bond geometry to one Cd and one B atom. In the ninth F site, F is bonded in a single-bond geometry to one Xe atom. In the tenth F site, F is bonded in a distorted single-bond geometry to one Cd and one B atom.