Materials Data on ThFe2Ni3 by Materials Project
ThFe2Ni3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Th is bonded in a 6-coordinate geometry to six equivalent Fe and twelve equivalent Ni atoms. All Th–Fe bond lengths are 2.88 Å. All Th–Ni bond lengths are 3.20 Å. Fe is bonded in a 12-coordinate geometry to three equivalent Th and six equivalent Ni atoms. All Fe–Ni bond lengths are 2.46 Å. Ni is bonded to four equivalent Th, four equivalent Fe, and four equivalent Ni atoms to form a mixture of distorted corner, edge, and face-sharing NiTh4Fe4Ni4 cuboctahedra. All Ni–Ni bond lengths are 2.49 Å.