Materials Data on CeDy3 by Materials Project

Dataset · Tue Jul 21 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1316629· OSTI ID:1316629

Dy3Ce crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to eight Dy and four equivalent Ce atoms to form DyCe4Dy8 cuboctahedra that share corners with twelve equivalent DyCe4Dy8 cuboctahedra, edges with eight equivalent CeDy12 cuboctahedra, edges with sixteen DyCe4Dy8 cuboctahedra, faces with four equivalent CeDy12 cuboctahedra, and faces with fourteen DyCe4Dy8 cuboctahedra. All Dy–Dy bond lengths are 3.53 Å. All Dy–Ce bond lengths are 3.53 Å. In the second Dy site, Dy is bonded to eight equivalent Dy and four equivalent Ce atoms to form DyCe4Dy8 cuboctahedra that share corners with four equivalent DyCe4Dy8 cuboctahedra, corners with eight equivalent CeDy12 cuboctahedra, edges with twenty-four DyCe4Dy8 cuboctahedra, faces with six equivalent CeDy12 cuboctahedra, and faces with twelve DyCe4Dy8 cuboctahedra. All Dy–Ce bond lengths are 3.53 Å. Ce is bonded to twelve Dy atoms to form CeDy12 cuboctahedra that share corners with four equivalent CeDy12 cuboctahedra, corners with eight equivalent DyCe4Dy8 cuboctahedra, edges with eight equivalent CeDy12 cuboctahedra, edges with sixteen equivalent DyCe4Dy8 cuboctahedra, faces with four equivalent CeDy12 cuboctahedra, and faces with fourteen DyCe4Dy8 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: 1316629
• Report Number(s): mp-984779
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ce-Dy
CeDy3
crystal structure