Materials Data on Dy11In9Ni4 by Materials Project

Dataset · Fri Jan 11 04:00:00 EST 2019

DOI:https://doi.org/10.17188/1685231· OSTI ID:1685231

Dy11Ni4In9 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are five inequivalent Dy sites. In the first Dy site, Dy is bonded in a 8-coordinate geometry to two equivalent Ni and six In atoms. Both Dy–Ni bond lengths are 2.77 Å. There are a spread of Dy–In bond distances ranging from 3.13–3.41 Å. In the second Dy site, Dy is bonded in a 8-coordinate geometry to eight In atoms. There are four shorter (3.25 Å) and four longer (3.40 Å) Dy–In bond lengths. In the third Dy site, Dy is bonded in a 10-coordinate geometry to four equivalent Ni and six In atoms. All Dy–Ni bond lengths are 2.88 Å. There are two shorter (3.23 Å) and four longer (3.34 Å) Dy–In bond lengths. In the fourth Dy site, Dy is bonded in a 4-coordinate geometry to four equivalent Ni and six In atoms. All Dy–Ni bond lengths are 2.85 Å. There are two shorter (3.27 Å) and four longer (3.36 Å) Dy–In bond lengths. In the fifth Dy site, Dy is bonded in a distorted body-centered cubic geometry to eight equivalent In atoms. All Dy–In bond lengths are 3.20 Å. Ni is bonded in a 6-coordinate geometry to six Dy and three In atoms. There are a spread of Ni–In bond distances ranging from 2.98–3.06 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to eight Dy, one Ni, and one In atom. The In–In bond length is 3.05 Å. In the second In site, In is bonded in a 10-coordinate geometry to eight Dy, one Ni, and one In atom. The In–In bond length is 3.03 Å. In the third In site, In is bonded to eight Dy and four equivalent Ni atoms to form face-sharing InDy8Ni4 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: 1685231
• Report Number(s): mp-1191751
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Dy-In-Ni
Dy11In9Ni4
crystal structure