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Title: Materials Data on Ti6Al16Ir7 by Materials Project

Abstract

Ti6Ir7Al16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a 4-coordinate geometry to four equivalent Ti, four equivalent Ir, and eight Al atoms. All Ti–Ti bond lengths are 3.08 Å. All Ti–Ir bond lengths are 3.16 Å. There are four shorter (2.71 Å) and four longer (3.20 Å) Ti–Al bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 12-coordinate geometry to four equivalent Ti and eight Al atoms. There are four shorter (2.49 Å) and four longer (2.66 Å) Ir–Al bond lengths. In the second Ir site, Ir is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Ir–Al bond lengths are 2.54 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to three equivalent Ti and three equivalent Ir atoms. In the second Al site, Al is bonded to three equivalent Ti and four Ir atoms to form a mixture of distorted face, edge, and corner-sharing AlTi3Ir4 tetrahedra.

Publication Date:
Other Number(s):
mp-1193121
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; Ti6Al16Ir7; Al-Ir-Ti
OSTI Identifier:
1749654
DOI:
https://doi.org/10.17188/1749654

Citation Formats

The Materials Project. Materials Data on Ti6Al16Ir7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1749654.
The Materials Project. Materials Data on Ti6Al16Ir7 by Materials Project. United States. doi:https://doi.org/10.17188/1749654
The Materials Project. 2020. "Materials Data on Ti6Al16Ir7 by Materials Project". United States. doi:https://doi.org/10.17188/1749654. https://www.osti.gov/servlets/purl/1749654. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1749654,
title = {Materials Data on Ti6Al16Ir7 by Materials Project},
author = {The Materials Project},
abstractNote = {Ti6Ir7Al16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a 4-coordinate geometry to four equivalent Ti, four equivalent Ir, and eight Al atoms. All Ti–Ti bond lengths are 3.08 Å. All Ti–Ir bond lengths are 3.16 Å. There are four shorter (2.71 Å) and four longer (3.20 Å) Ti–Al bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 12-coordinate geometry to four equivalent Ti and eight Al atoms. There are four shorter (2.49 Å) and four longer (2.66 Å) Ir–Al bond lengths. In the second Ir site, Ir is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Ir–Al bond lengths are 2.54 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to three equivalent Ti and three equivalent Ir atoms. In the second Al site, Al is bonded to three equivalent Ti and four Ir atoms to form a mixture of distorted face, edge, and corner-sharing AlTi3Ir4 tetrahedra.},
doi = {10.17188/1749654},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}