Materials Data on DyNiGe2 by Materials Project

Dataset · Wed Jul 15 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1279763· OSTI ID:1279763

DyNiGe2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 8-coordinate geometry to six equivalent Ni and eight Ge atoms. There are four shorter (3.12 Å) and two longer (3.16 Å) Dy–Ni bond lengths. There are a spread of Dy–Ge bond distances ranging from 2.92–2.95 Å. In the second Dy site, Dy is bonded in a 8-coordinate geometry to four equivalent Ni and ten Ge atoms. All Dy–Ni bond lengths are 3.16 Å. There are a spread of Dy–Ge bond distances ranging from 3.15–3.34 Å. Ni is bonded in a 10-coordinate geometry to five Dy and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.36–2.60 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to four Dy, three equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.69 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Dy and two equivalent Ni atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six Dy, two equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.46 Å.

• 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: 1279763
• Report Number(s): mp-638084
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Dy-Ge-Ni
DyNiGe2
crystal structure