DOI: 10.17188/1728114
title: Materials Data on Al27(FeNi2)2 by Materials Project

description: Al27(FeNi2)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Fe–Al bond distances ranging from 2.36–2.50 Å. In the second Fe site, Fe is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Fe–Al bond distances ranging from 2.37–2.50 Å. In the third Fe site, Fe is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Fe–Al bond distances ranging from 2.38–2.51 Å. In the fourth Fe site, Fe is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Fe–Al bond distances ranging from 2.36–2.50 Å. There are eight inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Ni–Al bond distances ranging from 2.39–2.53 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Ni–Al bond distances ranging from 2.39–2.53 Å. In the third Ni site, Ni is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Ni–Al bond distances ranging from 2.41–2.55 Å. In the fourth Ni site, Ni is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Ni–Al bond distances ranging from 2.42–2.56 Å. In the fifth Ni site, Ni is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Ni–Al bond distances ranging from 2.41–2.55 Å. In the sixth Ni site, Ni is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Ni–Al bond distances ranging from 2.42–2.56 Å. In the seventh Ni site, Ni is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Ni–Al bond distances ranging from 2.40–2.53 Å. In the eighth Ni site, Ni is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Ni–Al bond distances ranging from 2.40–2.54 Å. There are fifty-four inequivalent Al sites. In the first Al site, Al is bonded in a distorted bent 150 degrees geometry to two Fe atoms. In the second Al site, Al is bonded in a distorted bent 150 degrees geometry to one Fe and one Ni atom. In the third Al site, Al is bonded in a distorted bent 150 degrees geometry to one Fe and one Ni atom. In the fourth Al site, Al is bonded in a distorted bent 150 degrees geometry to two Fe atoms. In the fifth Al site, Al is bonded in a distorted bent 150 degrees geometry to one Fe and one Ni atom. In the sixth Al site, Al is bonded in a distorted bent 150 degrees geometry to one Fe and one Ni atom. In the seventh Al site, Al is bonded in a distorted bent 150 degrees geometry to two Ni atoms. In the eighth Al site, Al is bonded in a distorted bent 150 degrees geometry to two Ni atoms. In the ninth Al site, Al is bonded in a distorted bent 150 degrees geometry to two Ni atoms. In the tenth Al site, Al is bonded in a distorted bent 150 degrees geometry to two Ni atoms. In the eleventh Al site, Al is bonded in a distorted bent 150 degrees geometry to two Ni atoms. In the twelfth Al site, Al is bonded in a distorted bent 150 degrees geometry to two Ni atoms. In the thirteenth Al site, Al is bonded in a 2-coordinate geometry to two Fe atoms. In the fourteenth Al site, Al is bonded in a 2-coordinate geometry to one Fe and one Ni atom. In the fifteenth Al site, Al is bonded in a 2-coordinate geometry to one Fe and one Ni atom. In the sixteenth Al site, Al is bonded in a 2-coordinate geometry to two Fe atoms. In the seventeenth Al site, Al is bonded in a 2-coordinate geometry to one Fe and one Ni atom. In the eighteenth Al site, Al is bonded in a 2-coordinate geometry to one Fe and one Ni atom. In the nineteenth Al site, Al is bonded in a 2-coordinate geometry to two Ni atoms. In the twentieth Al site, Al is bonded in a 2-coordinate geometry to two Ni atoms. In the twenty-first Al site, Al is bonded in a 2-coordinate geometry to two Ni atoms. In the twenty-second Al site, Al is bonded in a 2-coordinate geometry to two Ni atoms. In the twenty-third Al site, Al is bonded in a 2-coordinate geometry to two Ni atoms. In the twenty-fourth Al site, Al is bonded in a 2-coordinate geometry to two Ni atoms. In the twenty-fifth Al site, Al is bonded in a distorted bent 120 degrees geometry to one Fe and one Ni atom. In the twenty-sixth Al site, Al is bonded in a distorted bent 120 degrees geometry to two Ni atoms. In the twenty-seventh Al site, Al is bonded in a distorted bent 120 degrees geometry to two Ni atoms. In the twenty-eighth Al site, Al is bonded in a distorted bent 120 degrees geometry to one Fe and one Ni atom. In the twenty-ninth Al site, Al is bonded in a distorted bent 120 degrees geometry to one Fe and one Ni atom. In the thirtieth Al site, Al is bonded in a distorted bent 120 degrees geometry to one Fe and one Ni atom. In the thirty-first Al site, Al is bonded in a 2-coordinate geometry to one Fe and one Ni atom. In the thirty-second Al site, Al is bonded in a distorted bent 120 degrees geometry to two Ni atoms. In the thirty-third Al site, Al is bonded in a distorted bent 120 degrees geometry to two Ni atoms. In the thirty-fourth Al site, Al is bonded in a 2-coordinate geometry to one Fe and one Ni atom. In the thirty-fifth Al site, Al is bonded in a 2-coordinate geometry to one Fe and one Ni atom. In the thirty-sixth Al site, Al is bonded in a 2-coordinate geometry to one Fe and one Ni atom. In the thirty-seventh Al site, Al is bonded in a 2-coordinate geometry to one Fe and one Ni atom. In the thirty-eighth Al site, Al is bonded in a 2-coordinate geometry to one Fe and one Ni atom. In the thirty-ninth Al site, Al is bonded in a 2-coordinate geometry to one Fe and one Ni atom. In the fortieth Al site, Al is bonded in a 2-coordinate geometry to one Fe and one Ni atom. In the forty-first Al site, Al is bonded in a 2-coordinate geometry to two Ni atoms. In the forty-second Al site, Al is bonded in a 2-coordinate geometry to two Ni atoms. In the forty-third Al site, Al is bonded in a 2-coordinate geometry to one Fe and one Ni atom. In the forty-fourth Al site, Al is bonded in a 2-coordinate geometry to two Ni atoms. In the forty-fifth Al site, Al is bonded in a 2-coordinate geometry to two Ni atoms. In the forty-sixth Al site, Al is bonded in a 2-coordinate geometry to one Fe and one Ni atom. In the forty-seventh Al site, Al is bonded in a 2-coordinate geometry to one Fe and one Ni atom. In the forty-eighth Al site, Al is bonded in a 2-coordinate geometry to one Fe and one Ni atom. In the forty-ninth Al site, Al is bonded in a distorted linear geometry to one Fe and one Ni atom. In the fiftieth Al site, Al is bonded in a distorted linear geometry to two Ni atoms. In the fifty-first Al site, Al is bonded in a distorted linear geometry to two Ni atoms. In the fifty-second Al site, Al is bonded in a distorted linear geometry to one Fe and one Ni atom. In the fifty-third Al site, Al is bonded in a distorted linear geometry to one Fe and one Ni atom. In the fifty-fourth Al site, Al is bonded in a distorted linear geometry to one Fe and one Ni atom.