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DOE OSTI2020

Materials Data on ZrAsIr by Materials Project

ZrIrAs is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded in a 4-coordinate geometry to six equivalent Ir and four equivalent As atoms. All Zr–Ir bond lengths are 3.06 Å. All Zr–As bond lengths are 2.65 Å. Ir is bonded in a distorted q6 geometry to six equivalent Zr and four equivalent As atoms. All Ir–As bond lengths are 2.65 Å. As is bonded in a distorted body-centered cubic geometry to four equivalent Zr and four equivalent Ir atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on ZrAsIr by Materials Project

ZrIrAs is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded to four equivalent Ir and six equivalent As atoms to form a mixture of distorted face and corner-sharing ZrAs6Ir4 tetrahedra. All Zr–Ir bond lengths are 2.67 Å. All Zr–As bond lengths are 3.09 Å. Ir is bonded in a distorted body-centered cubic geometry to four equivalent Zr and four equivalent As atoms. All Ir–As bond lengths are 2.67 Å. As is bonded in a distorted q6 geometry to six equivalent Zr and four equivalent Ir atoms.

36 MATERIALS SCIENCE↗