Materials Data on PuHf3 by Materials Project

Abstract

PuHf3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pu is bonded to twelve equivalent Hf atoms to form PuHf12 cuboctahedra that share corners with six equivalent PuHf12 cuboctahedra, corners with twelve equivalent HfPu4Hf8 cuboctahedra, edges with eighteen equivalent HfPu4Hf8 cuboctahedra, faces with eight equivalent PuHf12 cuboctahedra, and faces with twelve equivalent HfPu4Hf8 cuboctahedra. All Pu–Hf bond lengths are 3.18 Å. Hf is bonded to four equivalent Pu and eight equivalent Hf atoms to form HfPu4Hf8 cuboctahedra that share corners with four equivalent PuHf12 cuboctahedra, corners with fourteen equivalent HfPu4Hf8 cuboctahedra, edges with six equivalent PuHf12 cuboctahedra, edges with twelve equivalent HfPu4Hf8 cuboctahedra, faces with four equivalent PuHf12 cuboctahedra, and faces with sixteen equivalent HfPu4Hf8 cuboctahedra. There are a spread of Hf–Hf bond distances ranging from 3.14–3.23 Å.