Materials Data on NdHo3 by Materials Project

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

DOI:https://doi.org/10.17188/1698965· OSTI ID:1698965

Ho3Nd is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to eight Ho and four equivalent Nd atoms to form HoNd4Ho8 cuboctahedra that share corners with twelve equivalent HoNd4Ho8 cuboctahedra, edges with eight equivalent NdHo12 cuboctahedra, edges with sixteen HoNd4Ho8 cuboctahedra, faces with four equivalent NdHo12 cuboctahedra, and faces with fourteen HoNd4Ho8 cuboctahedra. All Ho–Ho bond lengths are 3.57 Å. All Ho–Nd bond lengths are 3.57 Å. In the second Ho site, Ho is bonded to eight equivalent Ho and four equivalent Nd atoms to form HoNd4Ho8 cuboctahedra that share corners with four equivalent HoNd4Ho8 cuboctahedra, corners with eight equivalent NdHo12 cuboctahedra, edges with twenty-four HoNd4Ho8 cuboctahedra, faces with six equivalent NdHo12 cuboctahedra, and faces with twelve HoNd4Ho8 cuboctahedra. All Ho–Nd bond lengths are 3.57 Å. Nd is bonded to twelve Ho atoms to form NdHo12 cuboctahedra that share corners with four equivalent NdHo12 cuboctahedra, corners with eight equivalent HoNd4Ho8 cuboctahedra, edges with eight equivalent NdHo12 cuboctahedra, edges with sixteen equivalent HoNd4Ho8 cuboctahedra, faces with four equivalent NdHo12 cuboctahedra, and faces with fourteen HoNd4Ho8 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: 1698965
• Report Number(s): mp-1186315
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ho-Nd
NdHo3
crystal structure