Materials Data on YbNi4B by Materials Project

Abstract

YbNi4B crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 12-coordinate geometry to twelve equivalent Ni and six equivalent B atoms. All Yb–Ni bond lengths are 2.85 Å. All Yb–B bond lengths are 2.86 Å. In the second Yb site, Yb is bonded in a distorted hexagonal planar geometry to six equivalent Ni atoms. All Yb–Ni bond lengths are 2.86 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Yb and six equivalent Ni atoms. All Ni–Ni bond lengths are 2.47 Å. In the second Ni site, Ni is bonded in a distorted L-shaped geometry to two equivalent Yb, two equivalent Ni, and two equivalent B atoms. Both Ni–B bond lengths are 2.01 Å. B is bonded in a 6-coordinate geometry to three equivalent Yb and six equivalent Ni atoms.