Materials Data on YMg3 by Materials Project

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

DOI:https://doi.org/10.17188/1676598· OSTI ID:1676598

YMg3 is Uranium Silicide structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Y atoms. All Mg–Mg bond lengths are 3.23 Å. There are two shorter (3.20 Å) and two longer (3.21 Å) Mg–Y bond lengths. In the second Mg site, Mg is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Y atoms. All Mg–Mg bond lengths are 3.20 Å. All Mg–Y bond lengths are 3.23 Å. In the third Mg site, Mg is bonded to eight Mg and four equivalent Y atoms to form a mixture of corner and face-sharing MgY4Mg8 cuboctahedra. There are two shorter (3.55 Å) and two longer (3.60 Å) Mg–Y bond lengths. Y is bonded in a 12-coordinate geometry to twelve 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: 1676598
• Report Number(s): mp-1100166
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Mg-Y
YMg3
crystal structure