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Title: Materials Data on TiSiNi by Materials Project

Abstract

TiNiSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ti2+ is bonded to five equivalent Si4- atoms to form distorted TiSi5 trigonal bipyramids that share corners with eight equivalent NiSi4 tetrahedra, corners with eight equivalent TiSi5 trigonal bipyramids, edges with six equivalent NiSi4 tetrahedra, and edges with six equivalent TiSi5 trigonal bipyramids. There are a spread of Ti–Si bond distances ranging from 2.58–2.64 Å. Ni2+ is bonded to four equivalent Si4- atoms to form NiSi4 tetrahedra that share corners with eight equivalent NiSi4 tetrahedra, corners with eight equivalent TiSi5 trigonal bipyramids, edges with two equivalent NiSi4 tetrahedra, and edges with six equivalent TiSi5 trigonal bipyramids. There are a spread of Ni–Si bond distances ranging from 2.30–2.36 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Ti2+ and four equivalent Ni2+ atoms.

Publication Date:
Other Number(s):
mp-510409
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; TiSiNi; Ni-Si-Ti
OSTI Identifier:
1262916
DOI:
https://doi.org/10.17188/1262916

Citation Formats

The Materials Project. Materials Data on TiSiNi by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262916.
The Materials Project. Materials Data on TiSiNi by Materials Project. United States. doi:https://doi.org/10.17188/1262916
The Materials Project. 2020. "Materials Data on TiSiNi by Materials Project". United States. doi:https://doi.org/10.17188/1262916. https://www.osti.gov/servlets/purl/1262916. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1262916,
title = {Materials Data on TiSiNi by Materials Project},
author = {The Materials Project},
abstractNote = {TiNiSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ti2+ is bonded to five equivalent Si4- atoms to form distorted TiSi5 trigonal bipyramids that share corners with eight equivalent NiSi4 tetrahedra, corners with eight equivalent TiSi5 trigonal bipyramids, edges with six equivalent NiSi4 tetrahedra, and edges with six equivalent TiSi5 trigonal bipyramids. There are a spread of Ti–Si bond distances ranging from 2.58–2.64 Å. Ni2+ is bonded to four equivalent Si4- atoms to form NiSi4 tetrahedra that share corners with eight equivalent NiSi4 tetrahedra, corners with eight equivalent TiSi5 trigonal bipyramids, edges with two equivalent NiSi4 tetrahedra, and edges with six equivalent TiSi5 trigonal bipyramids. There are a spread of Ni–Si bond distances ranging from 2.30–2.36 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Ti2+ and four equivalent Ni2+ atoms.},
doi = {10.17188/1262916},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}