Materials Data on ErNp3 by Materials Project

Dataset · Sat May 02 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1688226· OSTI ID:1688226

Np3Er is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Np sites. In the first Np site, Np is bonded to eight Np and four equivalent Er atoms to form NpEr4Np8 cuboctahedra that share corners with twelve equivalent NpEr4Np8 cuboctahedra, edges with eight equivalent ErNp12 cuboctahedra, edges with sixteen NpEr4Np8 cuboctahedra, faces with four equivalent ErNp12 cuboctahedra, and faces with fourteen NpEr4Np8 cuboctahedra. All Np–Np bond lengths are 3.20 Å. All Np–Er bond lengths are 3.20 Å. In the second Np site, Np is bonded to eight equivalent Np and four equivalent Er atoms to form NpEr4Np8 cuboctahedra that share corners with four equivalent NpEr4Np8 cuboctahedra, corners with eight equivalent ErNp12 cuboctahedra, edges with twenty-four NpEr4Np8 cuboctahedra, faces with six equivalent ErNp12 cuboctahedra, and faces with twelve NpEr4Np8 cuboctahedra. All Np–Er bond lengths are 3.20 Å. Er is bonded to twelve Np atoms to form ErNp12 cuboctahedra that share corners with four equivalent ErNp12 cuboctahedra, corners with eight equivalent NpEr4Np8 cuboctahedra, edges with eight equivalent ErNp12 cuboctahedra, edges with sixteen equivalent NpEr4Np8 cuboctahedra, faces with four equivalent ErNp12 cuboctahedra, and faces with fourteen NpEr4Np8 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: 1688226
• Report Number(s): mp-1184412
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Er-Np
ErNp3
crystal structure