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Title: Materials Data on VNi2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1188037· OSTI ID:1188037

Ni2V crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. V is bonded to two equivalent V and ten equivalent Ni atoms to form VV2Ni10 cuboctahedra that share corners with two equivalent VV2Ni10 cuboctahedra, corners with ten equivalent NiV5Ni7 cuboctahedra, edges with twelve equivalent VV2Ni10 cuboctahedra, edges with twelve equivalent NiV5Ni7 cuboctahedra, faces with four equivalent VV2Ni10 cuboctahedra, and faces with fourteen equivalent NiV5Ni7 cuboctahedra. Both V–V bond lengths are 2.52 Å. There are two shorter (2.52 Å) and eight longer (2.53 Å) V–Ni bond lengths. Ni is bonded to five equivalent V and seven equivalent Ni atoms to form NiV5Ni7 cuboctahedra that share corners with five equivalent VV2Ni10 cuboctahedra, corners with seven equivalent NiV5Ni7 cuboctahedra, edges with six equivalent VV2Ni10 cuboctahedra, edges with eighteen equivalent NiV5Ni7 cuboctahedra, faces with seven equivalent VV2Ni10 cuboctahedra, and faces with eleven equivalent NiV5Ni7 cuboctahedra. There are six shorter (2.52 Å) and one longer (2.55 Å) Ni–Ni bond lengths.

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:
1188037
Report Number(s):
mp-11531
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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