Materials Data on PmEr3 by Materials Project

Dataset · Sun May 03 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1698730· OSTI ID:1698730

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.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1698730
• Report Number(s): mp-1186563
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Er-Pm
PmEr3
crystal structure