DOI: 10.17188/1653102
title: Materials Data on Al18Co5Ni3 by Materials Project

description: Co5Ni3Al18 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are five inequivalent Co sites. In the first Co site, Co is bonded in a 10-coordinate geometry to ten Al atoms. There are a spread of Co–Al bond distances ranging from 2.38–2.79 Å. In the second Co site, Co is bonded in a 10-coordinate geometry to ten Al atoms. There are a spread of Co–Al bond distances ranging from 2.37–2.75 Å. In the third Co site, Co is bonded in a 10-coordinate geometry to ten Al atoms. There are a spread of Co–Al bond distances ranging from 2.37–2.76 Å. In the fourth Co site, Co is bonded in a 10-coordinate geometry to ten Al atoms. There are a spread of Co–Al bond distances ranging from 2.38–2.77 Å. In the fifth Co site, Co is bonded in a distorted body-centered cubic geometry to eight Al atoms. There are a spread of Co–Al bond distances ranging from 2.37–2.55 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted body-centered cubic geometry to eight Al atoms. There are a spread of Ni–Al bond distances ranging from 2.39–2.58 Å. In the second Ni site, Ni is bonded in a distorted body-centered cubic geometry to eight Al atoms. There are a spread of Ni–Al bond distances ranging from 2.40–2.58 Å. In the third Ni site, Ni is bonded in a distorted body-centered cubic geometry to eight Al atoms. There are a spread of Ni–Al bond distances ranging from 2.38–2.57 Å. There are eighteen inequivalent Al sites. In the first Al site, Al is bonded in a 4-coordinate geometry to three Co and one Ni atom. In the second Al site, Al is bonded in a 4-coordinate geometry to three Co and one Ni atom. In the third Al site, Al is bonded in a 4-coordinate geometry to four Co atoms. In the fourth Al site, Al is bonded in a 4-coordinate geometry to three Co and one Ni atom. In the fifth Al site, Al is bonded in a distorted trigonal planar geometry to two equivalent Co and one Ni atom. In the sixth Al site, Al is bonded in a distorted trigonal planar geometry to two equivalent Co and one Ni atom. In the seventh Al site, Al is bonded in a distorted trigonal planar geometry to three Co atoms. In the eighth Al site, Al is bonded in a distorted trigonal planar geometry to two equivalent Co and one Ni atom. In the ninth Al site, Al is bonded in a 12-coordinate geometry to two equivalent Co and three Ni atoms. In the tenth Al site, Al is bonded in a 12-coordinate geometry to three Co and two equivalent Ni atoms. In the eleventh Al site, Al is bonded in a 12-coordinate geometry to four Co and one Ni atom. In the twelfth Al site, Al is bonded in a 12-coordinate geometry to two equivalent Co and three Ni atoms. In the thirteenth Al site, Al is bonded in a distorted linear geometry to two Co atoms. In the fourteenth Al site, Al is bonded in a distorted linear geometry to two Co atoms. In the fifteenth Al site, Al is bonded in a 1-coordinate geometry to four Co and one Ni atom. In the sixteenth Al site, Al is bonded in a 11-coordinate geometry to two Co and three Ni atoms. In the seventeenth Al site, Al is bonded in a 11-coordinate geometry to two Co and three Ni atoms. In the eighteenth Al site, Al is bonded in a 4-coordinate geometry to three Co and two equivalent Ni atoms.