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Materials Data on ZrH2 by Materials Project

ZrH2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr2+ is bonded in a body-centered cubic geometry to eight equivalent H1- atoms. All Zr–H bond lengths are 2.09 Å. H1- is bonded to four equivalent Zr2+ atoms to form a mixture of corner and edge-sharing HZr4 tetrahedra.

36 MATERIALS SCIENCE↗

Materials Data on ZrH2 by Materials Project

ZrH2 is Fluorite-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Zr2+ is bonded in a body-centered cubic geometry to eight equivalent H1- atoms. All Zr–H bond lengths are 2.09 Å. H1- is bonded to four equivalent Zr2+ atoms to form a mixture of edge and corner-sharing HZr4 tetrahedra.

36 MATERIALS SCIENCE↗

Materials Data on ZrH by Materials Project

ZrH is Zincblende, Sphalerite structured and crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Zr is bonded to four equivalent H atoms to form corner-sharing ZrH4 tetrahedra. All Zr–H bond lengths are 2.07 Å. H is bonded to four equivalent Zr atoms to form corner-sharing HZr4 tetrahedra.

36 MATERIALS SCIENCE↗

Materials Data on ZrH by Materials Project

ZrH crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. Zr is bonded in a distorted square co-planar geometry to four equivalent H atoms. All Zr–H bond lengths are 2.05 Å. H is bonded to four equivalent Zr atoms to form a mixture of edge and corner-sharing HZr4 tetrahedra.

36 MATERIALS SCIENCE↗

Materials Data on ZrH3 by Materials Project

ZrH3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zr3+ is bonded to twelve equivalent H1- atoms to form a mixture of face and corner-sharing ZrH12 cuboctahedra. All Zr–H bond lengths are 2.21 Å. H1- is bonded in a square co-planar geometry to four equivalent Zr3+ atoms.

36 MATERIALS SCIENCE↗