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Title: Materials Data on Ti3Pd5 by Materials Project

Abstract

Pd5Ti3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 9-coordinate geometry to nine Pd atoms. There are a spread of Ti–Pd bond distances ranging from 2.64–2.82 Å. In the second Ti site, Ti is bonded in a 10-coordinate geometry to ten Pd atoms. There are eight shorter (2.72 Å) and two longer (2.97 Å) Ti–Pd bond lengths. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to five Ti atoms. In the second Pd site, Pd is bonded in a 10-coordinate geometry to five Ti atoms. In the third Pd site, Pd is bonded in a distorted body-centered cubic geometry to eight equivalent Ti atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-570199
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; Ti3Pd5; Pd-Ti
OSTI Identifier:
1275578
DOI:
10.17188/1275578

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ti3Pd5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275578.
Persson, Kristin, & Project, Materials. Materials Data on Ti3Pd5 by Materials Project. United States. doi:10.17188/1275578.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ti3Pd5 by Materials Project". United States. doi:10.17188/1275578. https://www.osti.gov/servlets/purl/1275578. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1275578,
title = {Materials Data on Ti3Pd5 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Pd5Ti3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 9-coordinate geometry to nine Pd atoms. There are a spread of Ti–Pd bond distances ranging from 2.64–2.82 Å. In the second Ti site, Ti is bonded in a 10-coordinate geometry to ten Pd atoms. There are eight shorter (2.72 Å) and two longer (2.97 Å) Ti–Pd bond lengths. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to five Ti atoms. In the second Pd site, Pd is bonded in a 10-coordinate geometry to five Ti atoms. In the third Pd site, Pd is bonded in a distorted body-centered cubic geometry to eight equivalent Ti atoms.},
doi = {10.17188/1275578},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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