Materials Data on Nb2FeB2 by Materials Project
Nb2FeB2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Nb2+ is bonded in a distorted hexagonal planar geometry to six equivalent B3- atoms. There are two shorter (2.39 Å) and four longer (2.43 Å) Nb–B bond lengths. Fe2+ is bonded in a square co-planar geometry to four equivalent B3- atoms. All Fe–B bond lengths are 2.31 Å. B3- is bonded in a 9-coordinate geometry to six equivalent Nb2+, two equivalent Fe2+, and one B3- atom. The B–B bond length is 1.87 Å.
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