Materials Data on ThZr2H7 by Materials Project
ThZr2H7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Th is bonded in an octahedral geometry to six equivalent H atoms. All Th–H bond lengths are 2.32 Å. Zr is bonded in a body-centered cubic geometry to eight H atoms. All Zr–H bond lengths are 2.03 Å. There are two inequivalent H sites. In the first H site, H is bonded in a trigonal planar geometry to one Th and two equivalent Zr atoms. In the second H site, H is bonded to four equivalent Zr atoms to form corner-sharing HZr4 tetrahedra.
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