Materials Data on Nb10Ge7 by Materials Project

Abstract

Nb10Ge7 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are five inequivalent Nb sites. In the first Nb site, Nb is bonded in a 6-coordinate geometry to two equivalent Nb and six Ge atoms. Both Nb–Nb bond lengths are 3.01 Å. There are a spread of Nb–Ge bond distances ranging from 2.62–2.94 Å. In the second Nb site, Nb is bonded in a 8-coordinate geometry to five Ge atoms. There are a spread of Nb–Ge bond distances ranging from 2.66–3.00 Å. In the third Nb site, Nb is bonded in a 2-coordinate geometry to two equivalent Nb and two equivalent Ge atoms. Both Nb–Nb bond lengths are 3.13 Å. There are one shorter (2.42 Å) and one longer (2.60 Å) Nb–Ge bond lengths. In the fourth Nb site, Nb is bonded in a 4-coordinate geometry to two equivalent Nb and four Ge atoms. Both Nb–Nb bond lengths are 2.79 Å. There are two shorter (2.73 Å) and two longer (2.75 Å) Nb–Ge bond lengths. In the fifth Nb site, Nb is bonded in a 12-coordinate geometry to six Nb and six Ge atoms. There are a spread of Nb–Ge bond distances ranging from 2.73–3.44 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to six Nb and one Ge atom. The Ge–Ge bond length is 2.32 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to eight Nb atoms. In the third Ge site, Ge is bonded in a 6-coordinate geometry to three equivalent Nb and three equivalent Ge atoms. In the fourth Ge site, Ge is bonded in an octahedral geometry to six equivalent Nb atoms. In the fifth Ge site, Ge is bonded in a 5-coordinate geometry to seven Nb atoms.