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Title: Materials Data on Sc3TlC by Materials Project

Abstract

Sc3TlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded in a linear geometry to four equivalent Tl and two equivalent C atoms. All Sc–Tl bond lengths are 3.22 Å. Both Sc–C bond lengths are 2.28 Å. Tl is bonded to twelve equivalent Sc atoms to form TlSc12 cuboctahedra that share corners with twelve equivalent TlSc12 cuboctahedra, faces with six equivalent TlSc12 cuboctahedra, and faces with eight equivalent CSc6 octahedra. C is bonded to six equivalent Sc atoms to form CSc6 octahedra that share corners with six equivalent CSc6 octahedra and faces with eight equivalent TlSc12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-4230
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; Sc3TlC; C-Sc-Tl
OSTI Identifier:
1207985
DOI:
10.17188/1207985

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Sc3TlC by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207985.
Persson, Kristin, & Project, Materials. Materials Data on Sc3TlC by Materials Project. United States. doi:10.17188/1207985.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Sc3TlC by Materials Project". United States. doi:10.17188/1207985. https://www.osti.gov/servlets/purl/1207985. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1207985,
title = {Materials Data on Sc3TlC by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Sc3TlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded in a linear geometry to four equivalent Tl and two equivalent C atoms. All Sc–Tl bond lengths are 3.22 Å. Both Sc–C bond lengths are 2.28 Å. Tl is bonded to twelve equivalent Sc atoms to form TlSc12 cuboctahedra that share corners with twelve equivalent TlSc12 cuboctahedra, faces with six equivalent TlSc12 cuboctahedra, and faces with eight equivalent CSc6 octahedra. C is bonded to six equivalent Sc atoms to form CSc6 octahedra that share corners with six equivalent CSc6 octahedra and faces with eight equivalent TlSc12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1207985},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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