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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on PmEr3 by Materials Project

Er3Pm is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to eight Er and four equivalent Pm atoms to form ErPm4Er8 cuboctahedra that share corners with twelve equivalent ErPm4Er8 cuboctahedra, edges with eight equivalent PmEr12 cuboctahedra, edges with sixteen ErPm4Er8 cuboctahedra, faces with four equivalent PmEr12 cuboctahedra, and faces with fourteen ErPm4Er8 cuboctahedra. All Er–Er bond lengths are 3.55 Å. All Er–Pm bond lengths are 3.55 Å. In the second Er site, Er is bonded to eight equivalent Er and four equivalent Pm atoms to form ErPm4Er8 cuboctahedra that share corners with four equivalent ErPm4Er8 cuboctahedra, corners with eight equivalent PmEr12 cuboctahedra, edges with twenty-four ErPm4Er8 cuboctahedra, faces with six equivalent PmEr12 cuboctahedra, and faces with twelve ErPm4Er8 cuboctahedra. All Er–Pm bond lengths are 3.55 Å. Pm is bonded to twelve Er atoms to form PmEr12 cuboctahedra that share corners with four equivalent PmEr12 cuboctahedra, corners with eight equivalent ErPm4Er8 cuboctahedra, edges with eight equivalent PmEr12 cuboctahedra, edges with sixteen equivalent ErPm4Er8 cuboctahedra, faces with four equivalent PmEr12 cuboctahedra, and faces with fourteen ErPm4Er8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PmEr3 by Materials Project

Er3Pm is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded to eight Er and four equivalent Pm atoms to form ErPm4Er8 cuboctahedra that share corners with four equivalent PmEr12 cuboctahedra, corners with fourteen equivalent ErPm4Er8 cuboctahedra, edges with six equivalent PmEr12 cuboctahedra, edges with twelve ErPm4Er8 cuboctahedra, faces with four equivalent PmEr12 cuboctahedra, and faces with sixteen ErPm4Er8 cuboctahedra. There are a spread of Er–Er bond distances ranging from 3.51–3.63 Å. There are two shorter (3.54 Å) and two longer (3.60 Å) Er–Pm bond lengths. In the second Er site, Er is bonded to eight Er and four equivalent Pm atoms to form ErPm4Er8 cuboctahedra that share corners with four equivalent PmEr12 cuboctahedra, corners with fourteen ErPm4Er8 cuboctahedra, edges with six equivalent PmEr12 cuboctahedra, edges with twelve ErPm4Er8 cuboctahedra, faces with four equivalent PmEr12 cuboctahedra, and faces with sixteen ErPm4Er8 cuboctahedra. There are a spread of Er–Er bond distances ranging from 3.51–3.63 Å. There are two shorter (3.54 Å) and two longer (3.60 Å) Er–Pm bond lengths. In the third Er site, Er is bonded to eight Er and four equivalent Pm atoms to form ErPm4Er8 cuboctahedra that share corners with four equivalent PmEr12 cuboctahedra, corners with fourteen ErPm4Er8 cuboctahedra, edges with six equivalent PmEr12 cuboctahedra, edges with twelve ErPm4Er8 cuboctahedra, faces with four equivalent PmEr12 cuboctahedra, and faces with sixteen ErPm4Er8 cuboctahedra. There are two shorter (3.54 Å) and two longer (3.60 Å) Er–Pm bond lengths. Pm is bonded to twelve Er atoms to form PmEr12 cuboctahedra that share corners with six equivalent PmEr12 cuboctahedra, corners with twelve ErPm4Er8 cuboctahedra, edges with eighteen ErPm4Er8 cuboctahedra, faces with eight equivalent PmEr12 cuboctahedra, and faces with twelve ErPm4Er8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PmEr3 by Materials Project

Er3Pm is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded to eight equivalent Er and four equivalent Pm atoms to form ErPm4Er8 cuboctahedra that share corners with twelve equivalent ErPm4Er8 cuboctahedra, edges with eight equivalent PmEr12 cuboctahedra, edges with sixteen equivalent ErPm4Er8 cuboctahedra, faces with four equivalent PmEr12 cuboctahedra, and faces with fourteen equivalent ErPm4Er8 cuboctahedra. All Er–Er bond lengths are 3.54 Å. All Er–Pm bond lengths are 3.54 Å. Pm is bonded to twelve equivalent Er atoms to form PmEr12 cuboctahedra that share corners with twelve equivalent PmEr12 cuboctahedra, edges with twenty-four equivalent ErPm4Er8 cuboctahedra, faces with six equivalent PmEr12 cuboctahedra, and faces with twelve equivalent ErPm4Er8 cuboctahedra.

36 MATERIALS SCIENCE↗