Materials Data on Hf3Si2 by Materials Project
Hf3Si2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 6-coordinate geometry to six equivalent Si atoms. There are two shorter (2.73 Å) and four longer (2.80 Å) Hf–Si bond lengths. In the second Hf site, Hf is bonded in a square co-planar geometry to four equivalent Si atoms. All Hf–Si bond lengths are 2.78 Å. Si is bonded in a 9-coordinate geometry to eight Hf and one Si atom. The Si–Si bond length is 2.46 Å.
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