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Title: Materials Data on NiBi by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1199027· OSTI ID:1199027

NiBi is Tungsten Carbide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ni is bonded to six equivalent Bi atoms to form a mixture of distorted corner and edge-sharing NiBi6 pentagonal pyramids. All Ni–Bi bond lengths are 2.75 Å. Bi is bonded to six equivalent Ni atoms to form a mixture of corner, edge, and face-sharing BiNi6 octahedra. The corner-sharing octahedral tilt angles are 44°.

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:
1199027
Report Number(s):
mp-22861
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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