Materials Data on ThFe2 by Materials Project
ThFe2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to eight equivalent Fe atoms. All Th–Fe bond lengths are 2.90 Å. Fe is bonded to four equivalent Th and four equivalent Fe atoms to form a mixture of distorted edge, corner, and face-sharing FeTh4Fe4 hexagonal bipyramids. All Fe–Fe bond lengths are 2.51 Å.
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