Materials Data on YMg6Co by Materials Project

Dataset · Mon Apr 17 04:00:00 EDT 2017

DOI:https://doi.org/10.17188/1672185· OSTI ID:1672185

Mg6YCo crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted single-bond geometry to four Mg, two equivalent Y, and one Co atom. There are two shorter (3.07 Å) and two longer (3.35 Å) Mg–Mg bond lengths. There are one shorter (3.33 Å) and one longer (3.35 Å) Mg–Y bond lengths. The Mg–Co bond length is 2.86 Å. In the second Mg site, Mg is bonded in a 2-coordinate geometry to two Mg, two equivalent Y, and two equivalent Co atoms. There are one shorter (2.96 Å) and one longer (3.15 Å) Mg–Mg bond lengths. Both Mg–Y bond lengths are 3.18 Å. Both Mg–Co bond lengths are 2.96 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and two equivalent Y atoms. Both Mg–Mg bond lengths are 3.00 Å. Both Mg–Y bond lengths are 3.13 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to eight Mg and two equivalent Co atoms. Both Mg–Co bond lengths are 3.09 Å. Y is bonded in a 12-coordinate geometry to ten Mg and two equivalent Co atoms. Both Y–Co bond lengths are 2.99 Å. Co is bonded in a 10-coordinate geometry to eight Mg and two equivalent Y 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: 1672185
• Report Number(s): mp-1022910
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Co-Mg-Y
YMg6Co
crystal structure