Materials Data on EuNi4B by Materials Project

Abstract

EuNi4B crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded in a distorted hexagonal planar geometry to six equivalent Ni atoms. All Eu–Ni bond lengths are 2.93 Å. In the second Eu site, Eu is bonded in a 12-coordinate geometry to twelve equivalent Ni and six equivalent B atoms. All Eu–Ni bond lengths are 2.91 Å. All Eu–B bond lengths are 2.93 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Eu and six equivalent Ni atoms. All Ni–Ni bond lengths are 2.51 Å. In the second Ni site, Ni is bonded in a distorted L-shaped geometry to two equivalent Eu, two equivalent Ni, and two equivalent B atoms. Both Ni–B bond lengths are 2.04 Å. B is bonded in a 6-coordinate geometry to three equivalent Eu and six equivalent Ni atoms.