Materials Data on Nb5Ge2B by Materials Project
Nb5BGe2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded to two equivalent B and four equivalent Ge atoms to form distorted corner-sharing NbGe4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–50°. Both Nb–B bond lengths are 3.00 Å. All Nb–Ge bond lengths are 2.56 Å. In the second Nb site, Nb is bonded in a 5-coordinate geometry to two equivalent B and three equivalent Ge atoms. Both Nb–B bond lengths are 2.68 Å. There are one shorter (2.65 Å) and two longer (2.74 Å) Nb–Ge bond lengths. B is bonded in a 10-coordinate geometry to ten Nb atoms. Ge is bonded in a 9-coordinate geometry to eight Nb and one Ge atom. The Ge–Ge bond length is 2.47 Å.