Materials Data on La18In3Co28 by Materials Project

Abstract

La18Co28In3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are four inequivalent La sites. In the first La site, La is bonded in a 8-coordinate geometry to sixteen Co atoms. There are a spread of La–Co bond distances ranging from 3.00–3.22 Å. In the second La site, La is bonded in a 6-coordinate geometry to six Co and two equivalent In atoms. There are four shorter (2.90 Å) and two longer (3.08 Å) La–Co bond lengths. Both La–In bond lengths are 3.75 Å. In the third La site, La is bonded in a 7-coordinate geometry to six Co and two In atoms. There are a spread of La–Co bond distances ranging from 2.93–2.97 Å. There are one shorter (3.48 Å) and one longer (4.06 Å) La–In bond lengths. In the fourth La site, La is bonded in a 7-coordinate geometry to six Co and one In atom. There are four shorter (2.88 Å) and two longer (2.97 Å) La–Co bond lengths. The La–In bond length is 3.58 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to four equivalent La and four equivalent Co atoms. All Co–Co bond lengths are 2.40 Å. In the second Co site, Co is bonded in a 10-coordinate geometry to five La and five Co atoms. There are a spread of Co–Co bond distances ranging from 2.38–2.47 Å. In the third Co site, Co is bonded in a 10-coordinate geometry to four La and six Co atoms. Both Co–Co bond lengths are 2.59 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 6-coordinate geometry to twelve La and two equivalent In atoms. Both In–In bond lengths are 3.21 Å. In the second In site, In is bonded in a 10-coordinate geometry to eight La and two In atoms. The In–In bond length is 3.12 Å.