Materials Data on LaNi3B by Materials Project

Abstract

LaNi3B crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. La is bonded in a 10-coordinate geometry to twelve Ni and two equivalent B atoms. There are a spread of La–Ni bond distances ranging from 3.00–3.19 Å. Both La–B bond lengths are 2.98 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted linear geometry to four equivalent La and two equivalent B atoms. Both Ni–B bond lengths are 2.09 Å. In the second Ni site, Ni is bonded in a 2-coordinate geometry to four equivalent La and two equivalent B atoms. Both Ni–B bond lengths are 2.03 Å. B is bonded in a 6-coordinate geometry to two equivalent La and six Ni atoms.