Materials Data on NiBi3 by Materials Project

Dataset · Fri Jul 17 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1199299· OSTI ID:1199299

The Materials Project

NiBi3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two NiBi3 ribbons oriented in the (1, 0, 0) direction. Ni is bonded in a 9-coordinate geometry to two equivalent Ni and seven Bi atoms. Both Ni–Ni bond lengths are 2.65 Å. There are a spread of Ni–Bi bond distances ranging from 2.73–2.79 Å. There are three inequivalent Bi sites. In the first Bi site, Bi is bonded in a single-bond geometry to one Ni atom. In the second Bi site, Bi is bonded in a 3-coordinate geometry to three equivalent Ni atoms. In the third Bi site, Bi is bonded in a 3-coordinate geometry to three 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: 1199299
• Report Number(s): mp-23179
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
NiBi3
Bi-Ni