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Title: Materials Data on Ti2SnC by Materials Project

Abstract

Ti2SnC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded in a 3-coordinate geometry to three equivalent Sn and three equivalent C atoms. All Ti–Sn bond lengths are 2.97 Å. All Ti–C bond lengths are 2.15 Å. Sn is bonded to six equivalent Ti atoms to form distorted SnTi6 cuboctahedra that share corners with six equivalent CTi6 octahedra, edges with six equivalent SnTi6 cuboctahedra, and edges with six equivalent CTi6 octahedra. The corner-sharing octahedral tilt angles are 21°. C is bonded to six equivalent Ti atoms to form CTi6 octahedra that share corners with six equivalent SnTi6 cuboctahedra, edges with six equivalent SnTi6 cuboctahedra, and edges with six equivalent CTi6 octahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-3871
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; Ti2SnC; C-Sn-Ti
OSTI Identifier:
1207556
DOI:
10.17188/1207556

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ti2SnC by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207556.
Persson, Kristin, & Project, Materials. Materials Data on Ti2SnC by Materials Project. United States. doi:10.17188/1207556.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ti2SnC by Materials Project". United States. doi:10.17188/1207556. https://www.osti.gov/servlets/purl/1207556. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1207556,
title = {Materials Data on Ti2SnC by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ti2SnC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded in a 3-coordinate geometry to three equivalent Sn and three equivalent C atoms. All Ti–Sn bond lengths are 2.97 Å. All Ti–C bond lengths are 2.15 Å. Sn is bonded to six equivalent Ti atoms to form distorted SnTi6 cuboctahedra that share corners with six equivalent CTi6 octahedra, edges with six equivalent SnTi6 cuboctahedra, and edges with six equivalent CTi6 octahedra. The corner-sharing octahedral tilt angles are 21°. C is bonded to six equivalent Ti atoms to form CTi6 octahedra that share corners with six equivalent SnTi6 cuboctahedra, edges with six equivalent SnTi6 cuboctahedra, and edges with six equivalent CTi6 octahedra.},
doi = {10.17188/1207556},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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