Materials Data on DyNi4B by Materials Project

Dataset · Wed Jul 18 04:00:00 EDT 2018

DOI:https://doi.org/10.17188/1678678· OSTI ID:1678678

DyNi4B crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a distorted hexagonal planar geometry to six equivalent Ni atoms. All Dy–Ni bond lengths are 2.88 Å. In the second Dy site, Dy is bonded in a 12-coordinate geometry to twelve Ni and six equivalent B atoms. All Dy–Ni bond lengths are 2.88 Å. All Dy–B bond lengths are 2.88 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Dy and nine Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.49–2.88 Å. In the second Ni site, Ni is bonded in a distorted L-shaped geometry to two equivalent Dy, two equivalent Ni, and two equivalent B atoms. Both Ni–B bond lengths are 2.04 Å. In the third Ni site, Ni is bonded in a distorted L-shaped geometry to two equivalent Dy, two equivalent Ni, and two equivalent B atoms. Both Ni–B bond lengths are 2.04 Å. B is bonded in a 6-coordinate geometry to three equivalent Dy and six Ni 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: 1678678
• Report Number(s): mp-1102346
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
B-Dy-Ni
DyNi4B
crystal structure