Materials Data on CrNi2Hg by Materials Project

Dataset · Fri Jul 24 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1279191· OSTI ID:1279191

CrNi2Hg crystallizes in the cubic F-43m space group. The structure is three-dimensional. Cr is bonded in a distorted body-centered cubic geometry to ten Ni and four equivalent Hg atoms. There are four shorter (2.65 Å) and six longer (3.06 Å) Cr–Ni bond lengths. All Cr–Hg bond lengths are 2.65 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 8-coordinate geometry to six equivalent Cr, four equivalent Ni, and four equivalent Hg atoms. All Ni–Ni bond lengths are 2.65 Å. All Ni–Hg bond lengths are 2.65 Å. In the second Ni site, Ni is bonded in a 4-coordinate geometry to four equivalent Cr, four equivalent Ni, and six equivalent Hg atoms. All Ni–Hg bond lengths are 3.06 Å. Hg is bonded in a distorted body-centered cubic geometry to four equivalent Cr and ten 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: 1279191
• Report Number(s): mp-631502
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Cr-Hg-Ni
CrNi2Hg
crystal structure