Materials Data on CrNi3 by Materials Project

Dataset · Tue Jul 21 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1324948· OSTI ID:1324948

The Materials Project

Ni3Cr is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cr is bonded in a distorted body-centered cubic geometry to fourteen Ni atoms. There are eight shorter (2.44 Å) and six longer (2.82 Å) Cr–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted body-centered cubic geometry to four equivalent Cr and four equivalent Ni atoms. All Ni–Ni bond lengths are 2.44 Å. In the second Ni site, Ni is bonded in a 8-coordinate geometry to six equivalent Cr and eight equivalent Ni atoms.

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Contributing Organization: MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231; EDCBEE
• OSTI ID: 1324948
• Report Number(s): mp-1007975
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
CrNi3
Cr-Ni