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Title: Materials Data on Ti2TlC by Materials Project

Abstract

Ti2TlC 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 Tl and three equivalent C atoms. All Ti–Tl bond lengths are 3.07 Å. All Ti–C bond lengths are 2.14 Å. Tl is bonded to six equivalent Ti and six equivalent Tl atoms to form TlTi6Tl6 cuboctahedra that share corners with six equivalent TlTi6Tl6 cuboctahedra, corners with six equivalent CTi6 octahedra, edges with six equivalent TlTi6Tl6 cuboctahedra, edges with six equivalent CTi6 octahedra, and faces with six equivalent TlTi6Tl6 cuboctahedra. The corner-sharing octahedral tilt angles are 22°. All Tl–Tl bond lengths are 3.18 Å. C is bonded to six equivalent Ti atoms to form CTi6 octahedra that share corners with six equivalent TlTi6Tl6 cuboctahedra, edges with six equivalent TlTi6Tl6 cuboctahedra, and edges with six equivalent CTi6 octahedra.

Authors:
Publication Date:
Other Number(s):
mp-1092281
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ti2TlC; C-Ti-Tl
OSTI Identifier:
1683707
DOI:
https://doi.org/10.17188/1683707

Citation Formats

The Materials Project. Materials Data on Ti2TlC by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1683707.
The Materials Project. Materials Data on Ti2TlC by Materials Project. United States. doi:https://doi.org/10.17188/1683707
The Materials Project. 2020. "Materials Data on Ti2TlC by Materials Project". United States. doi:https://doi.org/10.17188/1683707. https://www.osti.gov/servlets/purl/1683707. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1683707,
title = {Materials Data on Ti2TlC by Materials Project},
author = {The Materials Project},
abstractNote = {Ti2TlC 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 Tl and three equivalent C atoms. All Ti–Tl bond lengths are 3.07 Å. All Ti–C bond lengths are 2.14 Å. Tl is bonded to six equivalent Ti and six equivalent Tl atoms to form TlTi6Tl6 cuboctahedra that share corners with six equivalent TlTi6Tl6 cuboctahedra, corners with six equivalent CTi6 octahedra, edges with six equivalent TlTi6Tl6 cuboctahedra, edges with six equivalent CTi6 octahedra, and faces with six equivalent TlTi6Tl6 cuboctahedra. The corner-sharing octahedral tilt angles are 22°. All Tl–Tl bond lengths are 3.18 Å. C is bonded to six equivalent Ti atoms to form CTi6 octahedra that share corners with six equivalent TlTi6Tl6 cuboctahedra, edges with six equivalent TlTi6Tl6 cuboctahedra, and edges with six equivalent CTi6 octahedra.},
doi = {10.17188/1683707},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}