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Materials Data on Nb9Co4Ge by Materials Project

Nb9Co4Ge is beta Uranium-derived structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are three inequivalent Nb sites. In the first Nb site, Nb is bonded in a 7-coordinate geometry to nine Nb and five Co atoms. There are a spread of Nb–Nb bond distances ranging from 2.54–3.13 Å. There are a spread of Nb–Co bond distances ranging from 2.76–2.84 Å. In the second Nb site, Nb is bonded in a 6-coordinate geometry to four equivalent Nb, three Co, and two equivalent Ge atoms. All Nb–Co bond lengths are 2.73 Å. Both Nb–Ge bond lengths are 2.78 Å. In the third Nb site, Nb is bonded in a 6-coordinate geometry to ten Nb and four equivalent Co atoms. Both Nb–Nb bond lengths are 2.53 Å. All Nb–Co bond lengths are 2.78 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to ten Nb and two equivalent Co atoms to form a mixture of face, edge, and corner-sharing CoNb10Co2 cuboctahedra. Both Co–Co bond lengths are 2.53 Å. In the second Co site, Co is bonded to eight Nb and four Co atoms to form a mixture of face and corner-sharing CoNb8Co4 cuboctahedra. Both Co–Co bond lengths are 2.53 Å. Ge is bonded in a 10-coordinate geometry to eight equivalent Nb and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.53 Å.

36 MATERIALS SCIENCE↗

Materials Data on Nb6Co16Ge7 by Materials Project

Nb6Co16Ge7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nb is bonded in a 12-coordinate geometry to eight Co and four equivalent Ge atoms. There are four shorter (2.70 Å) and four longer (2.80 Å) Nb–Co bond lengths. All Nb–Ge bond lengths are 2.90 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 1-coordinate geometry to three equivalent Nb, six Co, and four Ge atoms. There are three shorter (2.56 Å) and three longer (2.71 Å) Co–Co bond lengths. There are one shorter (2.35 Å) and three longer (2.51 Å) Co–Ge bond lengths. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Nb, six Co, and three equivalent Ge atoms. All Co–Co bond lengths are 2.71 Å. All Co–Ge bond lengths are 2.32 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a body-centered cubic geometry to eight equivalent Co atoms. In the second Ge site, Ge is bonded to four equivalent Nb and eight Co atoms to form a mixture of distorted face and corner-sharing GeNb4Co8 cuboctahedra.

36 MATERIALS SCIENCE↗