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Title: Materials Data on Ti5FeSn3 by Materials Project

Abstract

Ti5FeSn3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded to two equivalent Fe and five equivalent Sn atoms to form a mixture of distorted face, edge, and corner-sharing TiFe2Sn5 pentagonal bipyramids. Both Ti–Fe bond lengths are 2.42 Å. There are a spread of Ti–Sn bond distances ranging from 2.88–3.03 Å. In the second Ti site, Ti is bonded in a 8-coordinate geometry to two equivalent Ti and six equivalent Sn atoms. Both Ti–Ti bond lengths are 2.74 Å. All Ti–Sn bond lengths are 2.88 Å. Fe is bonded to six equivalent Ti atoms to form face-sharing FeTi6 octahedra. Sn is bonded in a 9-coordinate geometry to nine Ti atoms.

Publication Date:
Other Number(s):
mp-1208517
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; Ti5FeSn3; Fe-Sn-Ti
OSTI Identifier:
1685431
DOI:
https://doi.org/10.17188/1685431

Citation Formats

The Materials Project. Materials Data on Ti5FeSn3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685431.
The Materials Project. Materials Data on Ti5FeSn3 by Materials Project. United States. doi:https://doi.org/10.17188/1685431
The Materials Project. 2020. "Materials Data on Ti5FeSn3 by Materials Project". United States. doi:https://doi.org/10.17188/1685431. https://www.osti.gov/servlets/purl/1685431. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1685431,
title = {Materials Data on Ti5FeSn3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ti5FeSn3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded to two equivalent Fe and five equivalent Sn atoms to form a mixture of distorted face, edge, and corner-sharing TiFe2Sn5 pentagonal bipyramids. Both Ti–Fe bond lengths are 2.42 Å. There are a spread of Ti–Sn bond distances ranging from 2.88–3.03 Å. In the second Ti site, Ti is bonded in a 8-coordinate geometry to two equivalent Ti and six equivalent Sn atoms. Both Ti–Ti bond lengths are 2.74 Å. All Ti–Sn bond lengths are 2.88 Å. Fe is bonded to six equivalent Ti atoms to form face-sharing FeTi6 octahedra. Sn is bonded in a 9-coordinate geometry to nine Ti atoms.},
doi = {10.17188/1685431},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}