Materials Data on ZrNbCr4 by Materials Project
ZrNbCr4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to four equivalent Nb and twelve equivalent Cr atoms. All Zr–Nb bond lengths are 3.05 Å. All Zr–Cr bond lengths are 2.92 Å. Nb is bonded in a 4-coordinate geometry to four equivalent Zr and twelve equivalent Cr atoms. All Nb–Cr bond lengths are 2.92 Å. Cr is bonded to three equivalent Zr, three equivalent Nb, and six equivalent Cr atoms to form a mixture of edge, corner, and face-sharing CrZr3Nb3Cr6 cuboctahedra. There are three shorter (2.49 Å) and three longer (2.50 Å) Cr–Cr bond lengths.
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