Materials Data on Cr8Co7 by Materials Project
Cr8Co7 is beta Uranium-derived structured and crystallizes in the tetragonal P4_2nm space group. The structure is three-dimensional. there are three inequivalent Cr sites. In the first Cr site, Cr is bonded in a 4-coordinate geometry to eight Cr and six Co atoms. There are a spread of Cr–Cr bond distances ranging from 2.32–2.79 Å. There are a spread of Cr–Co bond distances ranging from 2.41–2.74 Å. In the second Cr site, Cr is bonded in a 11-coordinate geometry to six Cr and nine Co atoms. There are a spread of Cr–Cr bond distances ranging from 2.43–2.85 Å. There are a spread of Cr–Co bond distances ranging from 2.53–2.91 Å. In the third Cr site, Cr is bonded in a 2-coordinate geometry to seven Cr and seven Co atoms. There are a spread of Cr–Co bond distances ranging from 2.26–2.53 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded to eight Cr and four Co atoms to form a mixture of distorted edge, face, and corner-sharing CoCr8Co4 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.31–2.51 Å. In the second Co site, Co is bonded to six Cr and six Co atoms to form CoCr6Co6 cuboctahedra that share corners with sixteen equivalent CoCr8Co4 cuboctahedra, edges with two equivalent CoCr6Co6 cuboctahedra, and faces with four equivalent CoCr8Co4 cuboctahedra. Both Co–Co bond lengths are 2.49 Å. In the third Co site, Co is bonded in a distorted linear geometry to nine Cr and five Co atoms.