skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on TiNi by Materials Project

Abstract

NiTi is alpha iridium vanadium-like structured and crystallizes in the trigonal P-3 space group. The structure is three-dimensional. there are three inequivalent Ti sites. In the first Ti site, Ti is bonded in a body-centered cubic geometry to eight Ni atoms. There are six shorter (2.50 Å) and two longer (2.66 Å) Ti–Ni bond lengths. In the second Ti site, Ti is bonded in a 8-coordinate geometry to eight Ni atoms. There are a spread of Ti–Ni bond distances ranging from 2.43–2.88 Å. In the third Ti site, Ti is bonded in a distorted body-centered cubic geometry to eight Ni atoms. There are a spread of Ti–Ni bond distances ranging from 2.51–2.73 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a body-centered cubic geometry to eight Ti atoms. In the second Ni site, Ni is bonded in a 8-coordinate geometry to eight Ti and three equivalent Ni atoms. All Ni–Ni bond lengths are 2.73 Å. In the third Ni site, Ni is bonded in a distorted body-centered cubic geometry to eight Ti and one Ni atom.

Publication Date:
Other Number(s):
mp-2716
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; TiNi; Ni-Ti
OSTI Identifier:
1201372
DOI:
10.17188/1201372

Citation Formats

The Materials Project. Materials Data on TiNi by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1201372.
The Materials Project. Materials Data on TiNi by Materials Project. United States. doi:10.17188/1201372.
The Materials Project. 2020. "Materials Data on TiNi by Materials Project". United States. doi:10.17188/1201372. https://www.osti.gov/servlets/purl/1201372. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1201372,
title = {Materials Data on TiNi by Materials Project},
author = {The Materials Project},
abstractNote = {NiTi is alpha iridium vanadium-like structured and crystallizes in the trigonal P-3 space group. The structure is three-dimensional. there are three inequivalent Ti sites. In the first Ti site, Ti is bonded in a body-centered cubic geometry to eight Ni atoms. There are six shorter (2.50 Å) and two longer (2.66 Å) Ti–Ni bond lengths. In the second Ti site, Ti is bonded in a 8-coordinate geometry to eight Ni atoms. There are a spread of Ti–Ni bond distances ranging from 2.43–2.88 Å. In the third Ti site, Ti is bonded in a distorted body-centered cubic geometry to eight Ni atoms. There are a spread of Ti–Ni bond distances ranging from 2.51–2.73 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a body-centered cubic geometry to eight Ti atoms. In the second Ni site, Ni is bonded in a 8-coordinate geometry to eight Ti and three equivalent Ni atoms. All Ni–Ni bond lengths are 2.73 Å. In the third Ni site, Ni is bonded in a distorted body-centered cubic geometry to eight Ti and one Ni atom.},
doi = {10.17188/1201372},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: