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Title: Materials Data on Ti2Co3Sn2 by Materials Project

Abstract

Ti2Co3Sn2 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 7-coordinate geometry to seven Co and six Sn atoms. There are a spread of Ti–Co bond distances ranging from 2.56–2.63 Å. There are three shorter (2.99 Å) and three longer (3.11 Å) Ti–Sn bond lengths. In the second Ti site, Ti is bonded in a 11-coordinate geometry to five Co and six Sn atoms. There are a spread of Ti–Co bond distances ranging from 2.57–2.65 Å. There are three shorter (2.92 Å) and three longer (2.97 Å) Ti–Sn bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded in a distorted body-centered cubic geometry to four Ti and four Sn atoms. There are one shorter (2.63 Å) and three longer (2.64 Å) Co–Sn bond lengths. In the second Co site, Co is bonded in a body-centered cubic geometry to four Ti and four Sn atoms. There are three shorter (2.55 Å) and one longer (2.58 Å) Co–Sn bond lengths. In the third Co site, Co is bonded in a distorted body-centered cubic geometry to four Timore » and four Sn atoms. All Co–Sn bond lengths are 2.64 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to six Ti and seven Co atoms. In the second Sn site, Sn is bonded in a 11-coordinate geometry to six Ti and five Co atoms.« less

Publication Date:
Other Number(s):
mp-1217124
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; Ti2Co3Sn2; Co-Sn-Ti
OSTI Identifier:
1656287
DOI:
https://doi.org/10.17188/1656287

Citation Formats

The Materials Project. Materials Data on Ti2Co3Sn2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1656287.
The Materials Project. Materials Data on Ti2Co3Sn2 by Materials Project. United States. doi:https://doi.org/10.17188/1656287
The Materials Project. 2020. "Materials Data on Ti2Co3Sn2 by Materials Project". United States. doi:https://doi.org/10.17188/1656287. https://www.osti.gov/servlets/purl/1656287. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1656287,
title = {Materials Data on Ti2Co3Sn2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ti2Co3Sn2 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 7-coordinate geometry to seven Co and six Sn atoms. There are a spread of Ti–Co bond distances ranging from 2.56–2.63 Å. There are three shorter (2.99 Å) and three longer (3.11 Å) Ti–Sn bond lengths. In the second Ti site, Ti is bonded in a 11-coordinate geometry to five Co and six Sn atoms. There are a spread of Ti–Co bond distances ranging from 2.57–2.65 Å. There are three shorter (2.92 Å) and three longer (2.97 Å) Ti–Sn bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded in a distorted body-centered cubic geometry to four Ti and four Sn atoms. There are one shorter (2.63 Å) and three longer (2.64 Å) Co–Sn bond lengths. In the second Co site, Co is bonded in a body-centered cubic geometry to four Ti and four Sn atoms. There are three shorter (2.55 Å) and one longer (2.58 Å) Co–Sn bond lengths. In the third Co site, Co is bonded in a distorted body-centered cubic geometry to four Ti and four Sn atoms. All Co–Sn bond lengths are 2.64 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to six Ti and seven Co atoms. In the second Sn site, Sn is bonded in a 11-coordinate geometry to six Ti and five Co atoms.},
doi = {10.17188/1656287},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}