Materials Data on Nb3Ge by Materials Project

Abstract

Nb3Ge crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are six inequivalent Nb sites. In the first Nb site, Nb is bonded in a 4-coordinate geometry to two equivalent Nb and four Ge atoms. There are one shorter (2.80 Å) and one longer (2.84 Å) Nb–Nb bond lengths. There are a spread of Nb–Ge bond distances ranging from 2.71–2.77 Å. In the second Nb site, Nb is bonded in a 1-coordinate geometry to two equivalent Nb and three Ge atoms. There are one shorter (2.72 Å) and one longer (2.84 Å) Nb–Nb bond lengths. There are one shorter (2.66 Å) and two longer (2.97 Å) Nb–Ge bond lengths. In the third Nb site, Nb is bonded in a 5-coordinate geometry to two equivalent Nb and three Ge atoms. Both Nb–Nb bond lengths are 2.65 Å. There are one shorter (2.87 Å) and two longer (2.90 Å) Nb–Ge bond lengths. In the fourth Nb site, Nb is bonded in a distorted T-shaped geometry to two equivalent Nb and three Ge atoms. Both Nb–Nb bond lengths are 2.95 Å. There are a spread of Nb–Ge bond distances ranging from 2.69–2.78 Å. In the fifth Nb site, Nb is bonded in a 5-coordinate geometry to five Ge atoms. There are two shorter (2.73 Å) and three longer (2.91 Å) Nb–Ge bond lengths. In the sixth Nb site, Nb is bonded in a 11-coordinate geometry to nine Nb and two equivalent Ge atoms. Both Nb–Ge bond lengths are 3.14 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to nine Nb atoms. In the second Ge site, Ge is bonded in a 11-coordinate geometry to eleven Nb atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to nine Nb atoms.