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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on PmPu3 by Materials Project

Pu3Pm is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Pu sites. In the first Pu site, Pu is bonded to eight Pu and four equivalent Pm atoms to form PuPm4Pu8 cuboctahedra that share corners with four equivalent PmPu12 cuboctahedra, corners with fourteen PuPm4Pu8 cuboctahedra, edges with six equivalent PmPu12 cuboctahedra, edges with twelve PuPm4Pu8 cuboctahedra, faces with four equivalent PmPu12 cuboctahedra, and faces with sixteen PuPm4Pu8 cuboctahedra. There are a spread of Pu–Pu bond distances ranging from 3.39–3.57 Å. There are two shorter (3.46 Å) and two longer (3.48 Å) Pu–Pm bond lengths. In the second Pu site, Pu is bonded to eight Pu and four equivalent Pm atoms to form PuPm4Pu8 cuboctahedra that share corners with four equivalent PmPu12 cuboctahedra, corners with fourteen PuPm4Pu8 cuboctahedra, edges with six equivalent PmPu12 cuboctahedra, edges with twelve PuPm4Pu8 cuboctahedra, faces with four equivalent PmPu12 cuboctahedra, and faces with sixteen PuPm4Pu8 cuboctahedra. All Pu–Pu bond lengths are 3.40 Å. There are two shorter (3.46 Å) and two longer (3.48 Å) Pu–Pm bond lengths. In the third Pu site, Pu is bonded to eight Pu and four equivalent Pm atoms to form PuPm4Pu8 cuboctahedra that share corners with four equivalent PmPu12 cuboctahedra, corners with fourteen PuPm4Pu8 cuboctahedra, edges with six equivalent PmPu12 cuboctahedra, edges with twelve PuPm4Pu8 cuboctahedra, faces with four equivalent PmPu12 cuboctahedra, and faces with sixteen PuPm4Pu8 cuboctahedra. There are two shorter (3.46 Å) and two longer (3.48 Å) Pu–Pm bond lengths. Pm is bonded to twelve Pu atoms to form PmPu12 cuboctahedra that share corners with six equivalent PmPu12 cuboctahedra, corners with twelve PuPm4Pu8 cuboctahedra, edges with eighteen PuPm4Pu8 cuboctahedra, faces with eight equivalent PmPu12 cuboctahedra, and faces with twelve PuPm4Pu8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PmPu3 by Materials Project

Pu3Pm is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pu sites. In the first Pu site, Pu is bonded to eight Pu and four equivalent Pm atoms to form PuPm4Pu8 cuboctahedra that share corners with twelve equivalent PuPm4Pu8 cuboctahedra, edges with eight equivalent PmPu12 cuboctahedra, edges with sixteen PuPm4Pu8 cuboctahedra, faces with four equivalent PmPu12 cuboctahedra, and faces with fourteen PuPm4Pu8 cuboctahedra. There are four shorter (3.42 Å) and four longer (3.46 Å) Pu–Pu bond lengths. All Pu–Pm bond lengths are 3.46 Å. In the second Pu site, Pu is bonded to eight equivalent Pu and four equivalent Pm atoms to form PuPm4Pu8 cuboctahedra that share corners with four equivalent PuPm4Pu8 cuboctahedra, corners with eight equivalent PmPu12 cuboctahedra, edges with twenty-four PuPm4Pu8 cuboctahedra, faces with six equivalent PmPu12 cuboctahedra, and faces with twelve PuPm4Pu8 cuboctahedra. All Pu–Pm bond lengths are 3.42 Å. Pm is bonded to twelve Pu atoms to form PmPu12 cuboctahedra that share corners with four equivalent PmPu12 cuboctahedra, corners with eight equivalent PuPm4Pu8 cuboctahedra, edges with eight equivalent PmPu12 cuboctahedra, edges with sixteen equivalent PuPm4Pu8 cuboctahedra, faces with four equivalent PmPu12 cuboctahedra, and faces with fourteen PuPm4Pu8 cuboctahedra.

36 MATERIALS SCIENCE↗