Materials Data on ThZr2 by Materials Project
ThZr2 is alpha Samarium-derived structured and crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. Th is bonded to four equivalent Th and eight equivalent Zr atoms to form ThTh4Zr8 cuboctahedra that share corners with four equivalent ThTh4Zr8 cuboctahedra, corners with eight equivalent ZrTh4Zr8 cuboctahedra, edges with twenty-four equivalent ZrTh4Zr8 cuboctahedra, faces with eight equivalent ThTh4Zr8 cuboctahedra, and faces with ten equivalent ZrTh4Zr8 cuboctahedra. All Th–Th bond lengths are 3.39 Å. There are four shorter (3.35 Å) and four longer (3.39 Å) Th–Zr bond lengths. Zr is bonded to four equivalent Th and eight equivalent Zr atoms to form ZrTh4Zr8 cuboctahedra that share corners with four equivalent ThTh4Zr8 cuboctahedra, corners with eight equivalent ZrTh4Zr8 cuboctahedra, edges with twelve equivalent ThTh4Zr8 cuboctahedra, edges with twelve equivalent ZrTh4Zr8 cuboctahedra, faces with five equivalent ThTh4Zr8 cuboctahedra, and faces with thirteen equivalent ZrTh4Zr8 cuboctahedra. There are a spread of Zr–Zr bond distances ranging from 3.16–3.39 Å.