Materials Data on Ti4Pd by Materials Project
Ti4Pd crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 12-coordinate geometry to four equivalent Ti and four equivalent Pd atoms. All Ti–Ti bond lengths are 2.83 Å. All Ti–Pd bond lengths are 2.77 Å. In the second Ti site, Ti is bonded to twelve Ti atoms to form a mixture of corner, edge, and face-sharing TiTi12 cuboctahedra. There are four shorter (2.95 Å) and four longer (2.99 Å) Ti–Ti bond lengths. Pd is bonded in a distorted body-centered cubic geometry to eight equivalent Ti atoms.
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