Materials Data on Pm3Hf by Materials Project

Pm3Hf is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pm sites. In the first Pm site, Pm is bonded to eight Pm and four equivalent Hf atoms to form PmPm8Hf4 cuboctahedra that share corners with twelve equivalent PmPm8Hf4 cuboctahedra, edges with eight equivalent HfPm12 cuboctahedra, edges with sixteen PmPm8Hf4 cuboctahedra, faces with four equivalent HfPm12 cuboctahedra, and faces with fourteen PmPm8Hf4 cuboctahedra. All Pm–Pm bond lengths are 3.51 Å. All Pm–Hf bond lengths are 3.51 Å. In the second Pm site, Pm is bonded to eight equivalent Pm and four equivalent Hf atoms to form PmPm8Hf4 cuboctahedra that share corners with four equivalent PmPm8Hf4 cuboctahedra, corners with eight equivalent HfPm12 cuboctahedra, edges with twenty-four PmPm8Hf4 cuboctahedra, faces with six equivalent HfPm12 cuboctahedra, and faces with twelve PmPm8Hf4 cuboctahedra. All Pm–Hf bond lengths are 3.51 Å. Hf is bonded to twelve Pm atoms to form HfPm12 cuboctahedra that share corners with four equivalent HfPm12 cuboctahedra, corners with eight equivalent PmPm8Hf4 cuboctahedra, edges with eight equivalent HfPm12 cuboctahedra, edges with sixteen equivalent PmPm8Hf4 cuboctahedra, faces with four equivalent HfPm12 cuboctahedra, and faces with fourteen PmPm8Hf4 cuboctahedra.