Materials Data on La7Ni16 by Materials Project

Abstract

La7Ni16 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded in a 6-coordinate geometry to ten Ni atoms. There are a spread of La–Ni bond distances ranging from 2.82–3.34 Å. In the second La site, La is bonded in a 12-coordinate geometry to twelve Ni atoms. There are a spread of La–Ni bond distances ranging from 2.93–3.07 Å. In the third La site, La is bonded in a 12-coordinate geometry to twelve Ni atoms. There are four shorter (2.95 Å) and eight longer (2.98 Å) La–Ni bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to four La and six Ni atoms. There are one shorter (2.45 Å) and five longer (2.52 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded in a 11-coordinate geometry to five La and six Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.56–2.72 Å. In the third Ni site, Ni is bonded in a 11-coordinate geometry to five La and six Ni atoms. The Ni–Ni bond length is 2.90 Å.