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Title: Materials Data on NiSb2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1195082· OSTI ID:1195082

NiSb2 is Marcasite structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Ni2+ is bonded to six equivalent Sb1- atoms to form a mixture of edge and corner-sharing NiSb6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are two shorter (2.55 Å) and four longer (2.59 Å) Ni–Sb bond lengths. Sb1- is bonded in a 4-coordinate geometry to three equivalent Ni2+ and one Sb1- atom. The Sb–Sb bond length is 2.91 Å.

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:
1195082
Report Number(s):
mp-19895
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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