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Title: Materials Data on Ti5Re24 by Materials Project

Abstract

Re24Ti5 is alpha-derived structured and crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 12-coordinate geometry to four equivalent Ti and twelve equivalent Re atoms. All Ti–Ti bond lengths are 3.07 Å. All Ti–Re bond lengths are 3.01 Å. In the second Ti site, Ti is bonded in a 3-coordinate geometry to one Ti and fifteen Re atoms. There are a spread of Ti–Re bond distances ranging from 2.73–3.22 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded in a 1-coordinate geometry to two equivalent Ti and eleven Re atoms. There are a spread of Re–Re bond distances ranging from 2.57–2.90 Å. In the second Re site, Re is bonded to four Ti and eight Re atoms to form a mixture of distorted face, edge, and corner-sharing ReTi4Re8 cuboctahedra. There are one shorter (2.48 Å) and two longer (2.64 Å) Re–Re bond lengths.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-518
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; Ti5Re24; Re-Ti
OSTI Identifier:
1263131
DOI:
10.17188/1263131

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ti5Re24 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1263131.
Persson, Kristin, & Project, Materials. Materials Data on Ti5Re24 by Materials Project. United States. doi:10.17188/1263131.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ti5Re24 by Materials Project". United States. doi:10.17188/1263131. https://www.osti.gov/servlets/purl/1263131. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1263131,
title = {Materials Data on Ti5Re24 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Re24Ti5 is alpha-derived structured and crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 12-coordinate geometry to four equivalent Ti and twelve equivalent Re atoms. All Ti–Ti bond lengths are 3.07 Å. All Ti–Re bond lengths are 3.01 Å. In the second Ti site, Ti is bonded in a 3-coordinate geometry to one Ti and fifteen Re atoms. There are a spread of Ti–Re bond distances ranging from 2.73–3.22 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded in a 1-coordinate geometry to two equivalent Ti and eleven Re atoms. There are a spread of Re–Re bond distances ranging from 2.57–2.90 Å. In the second Re site, Re is bonded to four Ti and eight Re atoms to form a mixture of distorted face, edge, and corner-sharing ReTi4Re8 cuboctahedra. There are one shorter (2.48 Å) and two longer (2.64 Å) Re–Re bond lengths.},
doi = {10.17188/1263131},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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