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Title: Materials Data on Ti3Ir2 by Materials Project

Abstract

Ti3Ir2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are four inequivalent Ti sites. In the first Ti site, Ti is bonded in a 8-coordinate geometry to four equivalent Ti and four equivalent Ir atoms. All Ti–Ti bond lengths are 2.78 Å. All Ti–Ir bond lengths are 2.71 Å. In the second Ti site, Ti is bonded in a body-centered cubic geometry to eight Ir atoms. All Ti–Ir bond lengths are 2.69 Å. In the third Ti site, Ti is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Ti–Ir bond lengths are 2.72 Å. In the fourth Ti site, Ti is bonded in a 8-coordinate geometry to twelve Ti and two equivalent Ir atoms. All Ti–Ti bond lengths are 3.11 Å. Both Ti–Ir bond lengths are 3.29 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a body-centered cubic geometry to nine Ti atoms. In the second Ir site, Ir is bonded in a body-centered cubic geometry to eight Ti atoms.

Authors:
Publication Date:
Other Number(s):
mp-1217113
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; Ti3Ir2; Ir-Ti
OSTI Identifier:
1695435
DOI:
https://doi.org/10.17188/1695435

Citation Formats

The Materials Project. Materials Data on Ti3Ir2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1695435.
The Materials Project. Materials Data on Ti3Ir2 by Materials Project. United States. doi:https://doi.org/10.17188/1695435
The Materials Project. 2019. "Materials Data on Ti3Ir2 by Materials Project". United States. doi:https://doi.org/10.17188/1695435. https://www.osti.gov/servlets/purl/1695435. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1695435,
title = {Materials Data on Ti3Ir2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ti3Ir2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are four inequivalent Ti sites. In the first Ti site, Ti is bonded in a 8-coordinate geometry to four equivalent Ti and four equivalent Ir atoms. All Ti–Ti bond lengths are 2.78 Å. All Ti–Ir bond lengths are 2.71 Å. In the second Ti site, Ti is bonded in a body-centered cubic geometry to eight Ir atoms. All Ti–Ir bond lengths are 2.69 Å. In the third Ti site, Ti is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Ti–Ir bond lengths are 2.72 Å. In the fourth Ti site, Ti is bonded in a 8-coordinate geometry to twelve Ti and two equivalent Ir atoms. All Ti–Ti bond lengths are 3.11 Å. Both Ti–Ir bond lengths are 3.29 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a body-centered cubic geometry to nine Ti atoms. In the second Ir site, Ir is bonded in a body-centered cubic geometry to eight Ti atoms.},
doi = {10.17188/1695435},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}