Materials Data on Zr4NiP by Materials Project
Zr4NiP is Khatyrkite-derived structured and crystallizes in the tetragonal P4/mcc space group. The structure is three-dimensional. Zr is bonded in a 4-coordinate geometry to two equivalent Ni and two equivalent P atoms. Both Zr–Ni bond lengths are 2.77 Å. Both Zr–P bond lengths are 2.78 Å. Ni is bonded in a 10-coordinate geometry to eight equivalent Zr and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.68 Å. P is bonded in a 10-coordinate geometry to eight equivalent Zr atoms.
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