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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ce3Hf by Materials Project

Ce3Hf is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded to eight equivalent Ce and four equivalent Hf atoms to form CeCe8Hf4 cuboctahedra that share corners with twelve equivalent CeCe8Hf4 cuboctahedra, edges with eight equivalent HfCe12 cuboctahedra, edges with sixteen equivalent CeCe8Hf4 cuboctahedra, faces with four equivalent HfCe12 cuboctahedra, and faces with fourteen equivalent CeCe8Hf4 cuboctahedra. All Ce–Ce bond lengths are 3.34 Å. All Ce–Hf bond lengths are 3.34 Å. Hf is bonded to twelve equivalent Ce atoms to form HfCe12 cuboctahedra that share corners with twelve equivalent HfCe12 cuboctahedra, edges with twenty-four equivalent CeCe8Hf4 cuboctahedra, faces with six equivalent HfCe12 cuboctahedra, and faces with twelve equivalent CeCe8Hf4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce3Hf by Materials Project

Ce3Hf is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to eight Ce and four equivalent Hf atoms to form CeCe8Hf4 cuboctahedra that share corners with twelve equivalent CeCe8Hf4 cuboctahedra, edges with eight equivalent HfCe12 cuboctahedra, edges with sixteen CeCe8Hf4 cuboctahedra, faces with four equivalent HfCe12 cuboctahedra, and faces with fourteen CeCe8Hf4 cuboctahedra. All Ce–Ce bond lengths are 3.32 Å. All Ce–Hf bond lengths are 3.32 Å. In the second Ce site, Ce is bonded to eight equivalent Ce and four equivalent Hf atoms to form CeCe8Hf4 cuboctahedra that share corners with four equivalent CeCe8Hf4 cuboctahedra, corners with eight equivalent HfCe12 cuboctahedra, edges with twenty-four CeCe8Hf4 cuboctahedra, faces with six equivalent HfCe12 cuboctahedra, and faces with twelve CeCe8Hf4 cuboctahedra. All Ce–Hf bond lengths are 3.32 Å. Hf is bonded to twelve Ce atoms to form HfCe12 cuboctahedra that share corners with four equivalent HfCe12 cuboctahedra, corners with eight equivalent CeCe8Hf4 cuboctahedra, edges with eight equivalent HfCe12 cuboctahedra, edges with sixteen equivalent CeCe8Hf4 cuboctahedra, faces with four equivalent HfCe12 cuboctahedra, and faces with fourteen CeCe8Hf4 cuboctahedra.

36 MATERIALS SCIENCE↗