Materials Data on Zr2BIr6 by Materials Project
Zr2Ir6B crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded to twelve equivalent Ir atoms to form ZrIr12 cuboctahedra that share corners with twelve equivalent ZrIr12 cuboctahedra, faces with six equivalent ZrIr12 cuboctahedra, and faces with four equivalent BIr6 octahedra. All Zr–Ir bond lengths are 2.88 Å. Ir is bonded in a 5-coordinate geometry to four equivalent Zr and one B atom. The Ir–B bond length is 2.10 Å. B is bonded to six equivalent Ir atoms to form BIr6 octahedra that share faces with eight equivalent ZrIr12 cuboctahedra.
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