Materials Data on CeY4Mg5 by Materials Project

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

DOI:https://doi.org/10.17188/1717816· OSTI ID:1717816

Mg5CeY4 is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a body-centered cubic geometry to four equivalent Ce and four equivalent Y atoms. All Mg–Ce bond lengths are 3.31 Å. All Mg–Y bond lengths are 3.29 Å. In the second Mg site, Mg is bonded in a body-centered cubic geometry to eight Y atoms. All Mg–Y bond lengths are 3.31 Å. In the third Mg site, Mg is bonded in a body-centered cubic geometry to eight equivalent Y atoms. All Mg–Y bond lengths are 3.30 Å. Ce is bonded in a body-centered cubic geometry to eight equivalent Mg atoms. There are two inequivalent Y sites. In the first Y site, Y is bonded in a distorted body-centered cubic geometry to eight Mg atoms. In the second Y site, Y is bonded in a body-centered cubic geometry to eight Mg atoms.

• 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: 1717816
• Report Number(s): mp-1226574
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ce-Mg-Y
CeY4Mg5
crystal structure