Materials Data on V5Cr5Ge6 by Materials Project

Abstract

V5Cr5Ge6 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent V sites. In the first V site, V is bonded in a 7-coordinate geometry to one Cr and six Ge atoms. The V–Cr bond length is 2.60 Å. There are a spread of V–Ge bond distances ranging from 2.50–2.74 Å. In the second V site, V is bonded in a 7-coordinate geometry to one Cr and six Ge atoms. The V–Cr bond length is 2.57 Å. There are a spread of V–Ge bond distances ranging from 2.52–2.73 Å. In the third V site, V is bonded in a 7-coordinate geometry to one Cr and six Ge atoms. The V–Cr bond length is 2.54 Å. There are a spread of V–Ge bond distances ranging from 2.50–2.72 Å. In the fourth V site, V is bonded in a 6-coordinate geometry to two equivalent V and four Ge atoms. There are one shorter (2.40 Å) and one longer (2.41 Å) V–V bond lengths. There are a spread of V–Ge bond distances ranging from 2.55–2.57 Å. There are five inequivalent Cr sites. In the first Cr site, Cr is bonded in a 7-coordinate geometry to one V and six Ge atoms. There are a spread of Cr–Ge bond distances ranging from 2.50–2.73 Å. In the second Cr site, Cr is bonded in a 7-coordinate geometry to one V and six Ge atoms. There are a spread of Cr–Ge bond distances ranging from 2.48–2.73 Å. In the third Cr site, Cr is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Cr–Ge bond distances ranging from 2.47–2.74 Å. In the fourth Cr site, Cr is bonded in a 7-coordinate geometry to one V and six Ge atoms. There are a spread of Cr–Ge bond distances ranging from 2.49–2.73 Å. In the fifth Cr site, Cr is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Cr–Ge bond distances ranging from 2.47–2.74 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to three V, five Cr, and two equivalent Ge atoms. There are one shorter (2.40 Å) and one longer (2.41 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 10-coordinate geometry to four V and six Cr atoms. In the third Ge site, Ge is bonded in a 10-coordinate geometry to five V and five Cr atoms. In the fourth Ge site, Ge is bonded in a 10-coordinate geometry to five V and five Cr atoms. In the fifth Ge site, Ge is bonded in a 10-coordinate geometry to six V and four Cr atoms.