Materials Data on Ta2FeB2 by Materials Project
Ta2FeB2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Ta is bonded in a 6-coordinate geometry to four equivalent Fe and six equivalent B atoms. All Ta–Fe bond lengths are 2.71 Å. There are two shorter (2.38 Å) and four longer (2.43 Å) Ta–B bond lengths. Fe is bonded to eight equivalent Ta and four equivalent B atoms to form a mixture of distorted corner and face-sharing FeTa8B4 cuboctahedra. All Fe–B bond lengths are 2.30 Å. B is bonded in a 9-coordinate geometry to six equivalent Ta, two equivalent Fe, and one B atom. The B–B bond length is 1.87 Å.
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