Materials Data on CrRe5B2 by Materials Project

Abstract

CrRe5B2 crystallizes in the orthorhombic Amm2 space group. The structure is two-dimensional and consists of two CrRe5B2 sheets oriented in the (0, 1, 0) direction. Cr is bonded in a distorted L-shaped geometry to two equivalent B atoms. Both Cr–B bond lengths are 2.15 Å. There are three inequivalent Re sites. In the first Re site, Re is bonded in a 2-coordinate geometry to three B atoms. There are two shorter (2.27 Å) and one longer (2.57 Å) Re–B bond lengths. In the second Re site, Re is bonded in a 3-coordinate geometry to three B atoms. There are two shorter (2.26 Å) and one longer (2.41 Å) Re–B bond lengths. In the third Re site, Re is bonded in a distorted L-shaped geometry to two equivalent B atoms. Both Re–B bond lengths are 2.25 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 2-coordinate geometry to two equivalent Cr and six Re atoms. In the second B site, B is bonded in a 6-coordinate geometry to eight Re atoms.