Materials Data on Np2Co17 by Materials Project

Abstract

Np2Co17 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Np sites. In the first Np site, Np is bonded in a 12-coordinate geometry to eighteen Co atoms. There are a spread of Np–Co bond distances ranging from 2.80–3.16 Å. In the second Np site, Np is bonded in a 2-coordinate geometry to twenty Co atoms. There are a spread of Np–Co bond distances ranging from 2.75–3.05 Å. There are eight inequivalent Co sites. In the first Co site, Co is bonded in a 2-coordinate geometry to one Np and thirteen Co atoms. There are a spread of Co–Co bond distances ranging from 2.35–2.67 Å. In the second Co site, Co is bonded to two equivalent Np and ten Co atoms to form CoNp2Co10 cuboctahedra that share corners with fourteen CoNp2Co10 cuboctahedra, edges with six CoNp3Co9 cuboctahedra, and faces with ten CoNp2Co10 cuboctahedra. There are four shorter (2.35 Å) and four longer (2.36 Å) Co–Co bond lengths. In the third Co site, Co is bonded to two equivalent Np and ten Co atoms to form CoNp2Co10 cuboctahedra that share corners with fourteen CoNp2Co10 cuboctahedra, edges with six CoNp3Co9 cuboctahedra, and faces with ten CoNp2Co10 cuboctahedra. There are four shorter (2.35 Å) and four longer (2.36 Å) Co–Co bond lengths. In the fourth Co site, Co is bonded in a 12-coordinate geometry to two Np and ten Co atoms. There are a spread of Co–Co bond distances ranging from 2.28–2.51 Å. In the fifth Co site, Co is bonded in a 12-coordinate geometry to two Np and ten Co atoms. There are a spread of Co–Co bond distances ranging from 2.28–2.51 Å. In the sixth Co site, Co is bonded in a 12-coordinate geometry to two Np and ten Co atoms. There are two shorter (2.41 Å) and two longer (2.46 Å) Co–Co bond lengths. In the seventh Co site, Co is bonded to three Np and nine Co atoms to form a mixture of distorted face, edge, and corner-sharing CoNp3Co9 cuboctahedra. Both Co–Co bond lengths are 2.34 Å. In the eighth Co site, Co is bonded to three Np and nine Co atoms to form a mixture of distorted face, edge, and corner-sharing CoNp3Co9 cuboctahedra.