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Title: Materials Data on Tc3Ni by Materials Project

Abstract

Tc3Ni is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tc+0.67- is bonded to eight equivalent Tc+0.67- and four equivalent Ni2+ atoms to form TcTc8Ni4 cuboctahedra that share corners with four equivalent NiTc12 cuboctahedra, corners with fourteen equivalent TcTc8Ni4 cuboctahedra, edges with six equivalent NiTc12 cuboctahedra, edges with twelve equivalent TcTc8Ni4 cuboctahedra, faces with four equivalent NiTc12 cuboctahedra, and faces with sixteen equivalent TcTc8Ni4 cuboctahedra. There are a spread of Tc–Tc bond distances ranging from 2.67–2.70 Å. There are two shorter (2.67 Å) and two longer (2.69 Å) Tc–Ni bond lengths. Ni2+ is bonded to twelve equivalent Tc+0.67- atoms to form NiTc12 cuboctahedra that share corners with six equivalent NiTc12 cuboctahedra, corners with twelve equivalent TcTc8Ni4 cuboctahedra, edges with eighteen equivalent TcTc8Ni4 cuboctahedra, faces with eight equivalent NiTc12 cuboctahedra, and faces with twelve equivalent TcTc8Ni4 cuboctahedra.

Authors:
Publication Date:
Other Number(s):
mp-867357
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Tc3Ni; Ni-Tc
OSTI Identifier:
1312022
DOI:
https://doi.org/10.17188/1312022

Citation Formats

The Materials Project. Materials Data on Tc3Ni by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1312022.
The Materials Project. Materials Data on Tc3Ni by Materials Project. United States. doi:https://doi.org/10.17188/1312022
The Materials Project. 2020. "Materials Data on Tc3Ni by Materials Project". United States. doi:https://doi.org/10.17188/1312022. https://www.osti.gov/servlets/purl/1312022. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1312022,
title = {Materials Data on Tc3Ni by Materials Project},
author = {The Materials Project},
abstractNote = {Tc3Ni is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tc+0.67- is bonded to eight equivalent Tc+0.67- and four equivalent Ni2+ atoms to form TcTc8Ni4 cuboctahedra that share corners with four equivalent NiTc12 cuboctahedra, corners with fourteen equivalent TcTc8Ni4 cuboctahedra, edges with six equivalent NiTc12 cuboctahedra, edges with twelve equivalent TcTc8Ni4 cuboctahedra, faces with four equivalent NiTc12 cuboctahedra, and faces with sixteen equivalent TcTc8Ni4 cuboctahedra. There are a spread of Tc–Tc bond distances ranging from 2.67–2.70 Å. There are two shorter (2.67 Å) and two longer (2.69 Å) Tc–Ni bond lengths. Ni2+ is bonded to twelve equivalent Tc+0.67- atoms to form NiTc12 cuboctahedra that share corners with six equivalent NiTc12 cuboctahedra, corners with twelve equivalent TcTc8Ni4 cuboctahedra, edges with eighteen equivalent TcTc8Ni4 cuboctahedra, faces with eight equivalent NiTc12 cuboctahedra, and faces with twelve equivalent TcTc8Ni4 cuboctahedra.},
doi = {10.17188/1312022},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}