Materials Data on Ce3Zn by Materials Project

Dataset · Thu Jul 23 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1316627· OSTI ID:1316627

Ce3Zn is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to eight Ce and four equivalent Zn atoms to form distorted CeCe8Zn4 cuboctahedra that share corners with twelve equivalent CeCe8Zn4 cuboctahedra, edges with eight equivalent ZnCe12 cuboctahedra, edges with sixteen CeCe8Zn4 cuboctahedra, faces with four equivalent ZnCe12 cuboctahedra, and faces with fourteen CeCe8Zn4 cuboctahedra. There are four shorter (3.23 Å) and four longer (3.27 Å) Ce–Ce bond lengths. All Ce–Zn bond lengths are 3.27 Å. In the second Ce site, Ce is bonded to eight equivalent Ce and four equivalent Zn atoms to form distorted CeCe8Zn4 cuboctahedra that share corners with four equivalent CeCe8Zn4 cuboctahedra, corners with eight equivalent ZnCe12 cuboctahedra, edges with twenty-four CeCe8Zn4 cuboctahedra, faces with six equivalent ZnCe12 cuboctahedra, and faces with twelve CeCe8Zn4 cuboctahedra. All Ce–Zn bond lengths are 3.23 Å. Zn is bonded to twelve Ce atoms to form ZnCe12 cuboctahedra that share corners with four equivalent ZnCe12 cuboctahedra, corners with eight equivalent CeCe8Zn4 cuboctahedra, edges with eight equivalent ZnCe12 cuboctahedra, edges with sixteen equivalent CeCe8Zn4 cuboctahedra, faces with four equivalent ZnCe12 cuboctahedra, and faces with fourteen CeCe8Zn4 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: 1316627
• Report Number(s): mp-984772
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ce-Zn
Ce3Zn
crystal structure