Materials Data on CoNi2Sn by Materials Project

Abstract

CoNi2Sn crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are three inequivalent Co sites. In the first Co site, Co is bonded in a 1-coordinate geometry to one Co, ten Ni, and three equivalent Sn atoms. The Co–Co bond length is 2.63 Å. There are a spread of Co–Ni bond distances ranging from 2.37–2.75 Å. All Co–Sn bond lengths are 2.79 Å. In the second Co site, Co is bonded in a 7-coordinate geometry to one Co, seven Ni, and six Sn atoms. The Co–Co bond length is 2.66 Å. There are a spread of Co–Ni bond distances ranging from 2.66–2.81 Å. There are three shorter (2.75 Å) and three longer (2.76 Å) Co–Sn bond lengths. In the third Co site, Co is bonded in a 6-coordinate geometry to two Co, six Ni, and six Sn atoms. There are three shorter (2.77 Å) and three longer (2.78 Å) Co–Ni bond lengths. There are three shorter (2.73 Å) and three longer (2.78 Å) Co–Sn bond lengths. There are six inequivalent Ni sites. In the first Ni site, Ni is bonded in a 11-coordinate geometry to six Co, one Ni, and four Sn atoms. The Ni–Ni bond length is 2.43 Å. There are three shorter (2.43 Å) and one longer (2.71 Å) Ni–Sn bond lengths. In the second Ni site, Ni is bonded in a 5-coordinate geometry to three equivalent Co, four Ni, and four Sn atoms. There are one shorter (2.46 Å) and three longer (2.72 Å) Ni–Ni bond lengths. There are three shorter (2.43 Å) and one longer (2.73 Å) Ni–Sn bond lengths. In the third Ni site, Ni is bonded in a 11-coordinate geometry to three equivalent Co, six Ni, and two Sn atoms. There are three shorter (2.42 Å) and three longer (2.71 Å) Ni–Ni bond lengths. There are one shorter (2.54 Å) and one longer (2.55 Å) Ni–Sn bond lengths. In the fourth Ni site, Ni is bonded in a 5-coordinate geometry to six Co and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.42–2.62 Å. In the fifth Ni site, Ni is bonded in a 1-coordinate geometry to two Co, nine Ni, and three equivalent Sn atoms. All Ni–Ni bond lengths are 2.72 Å. All Ni–Sn bond lengths are 2.77 Å. In the sixth Ni site, Ni is bonded in a 11-coordinate geometry to three equivalent Co and eight Ni atoms. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 11-coordinate geometry to six Co and five Ni atoms. In the second Sn site, Sn is bonded in a 11-coordinate geometry to six Co and five Ni atoms. In the third Sn site, Sn is bonded in a 11-coordinate geometry to three equivalent Co and eight Ni atoms.