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Title: Materials Data on Ti3TlC by Materials Project

Abstract

TlCTi3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded in a linear geometry to four equivalent Tl and two equivalent C atoms. All Ti–Tl bond lengths are 3.01 Å. Both Ti–C bond lengths are 2.13 Å. Tl is bonded to twelve equivalent Ti atoms to form TlTi12 cuboctahedra that share corners with twelve equivalent TlTi12 cuboctahedra, faces with six equivalent TlTi12 cuboctahedra, and faces with eight equivalent CTi6 octahedra. C is bonded to six equivalent Ti atoms to form CTi6 octahedra that share corners with six equivalent CTi6 octahedra and faces with eight equivalent TlTi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-4563
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; Ti3TlC; C-Ti-Tl
OSTI Identifier:
1208255
DOI:
10.17188/1208255

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ti3TlC by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1208255.
Persson, Kristin, & Project, Materials. Materials Data on Ti3TlC by Materials Project. United States. doi:10.17188/1208255.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ti3TlC by Materials Project". United States. doi:10.17188/1208255. https://www.osti.gov/servlets/purl/1208255. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1208255,
title = {Materials Data on Ti3TlC by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {TlCTi3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded in a linear geometry to four equivalent Tl and two equivalent C atoms. All Ti–Tl bond lengths are 3.01 Å. Both Ti–C bond lengths are 2.13 Å. Tl is bonded to twelve equivalent Ti atoms to form TlTi12 cuboctahedra that share corners with twelve equivalent TlTi12 cuboctahedra, faces with six equivalent TlTi12 cuboctahedra, and faces with eight equivalent CTi6 octahedra. C is bonded to six equivalent Ti atoms to form CTi6 octahedra that share corners with six equivalent CTi6 octahedra and faces with eight equivalent TlTi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1208255},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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