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Title: Materials Data on Sc3Tl by Materials Project

Abstract

Sc3Tl is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded to eight equivalent Sc and four equivalent Tl atoms to form ScSc8Tl4 cuboctahedra that share corners with four equivalent TlSc12 cuboctahedra, corners with fourteen equivalent ScSc8Tl4 cuboctahedra, edges with six equivalent TlSc12 cuboctahedra, edges with twelve equivalent ScSc8Tl4 cuboctahedra, faces with four equivalent TlSc12 cuboctahedra, and faces with sixteen equivalent ScSc8Tl4 cuboctahedra. There are two shorter (3.19 Å) and six longer (3.24 Å) Sc–Sc bond lengths. All Sc–Tl bond lengths are 3.22 Å. Tl is bonded to twelve equivalent Sc atoms to form TlSc12 cuboctahedra that share corners with six equivalent TlSc12 cuboctahedra, corners with twelve equivalent ScSc8Tl4 cuboctahedra, edges with eighteen equivalent ScSc8Tl4 cuboctahedra, faces with eight equivalent TlSc12 cuboctahedra, and faces with twelve equivalent ScSc8Tl4 cuboctahedra.

Publication Date:
Other Number(s):
mp-1186974
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; Sc3Tl; Sc-Tl
OSTI Identifier:
1744045
DOI:
https://doi.org/10.17188/1744045

Citation Formats

The Materials Project. Materials Data on Sc3Tl by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744045.
The Materials Project. Materials Data on Sc3Tl by Materials Project. United States. doi:https://doi.org/10.17188/1744045
The Materials Project. 2020. "Materials Data on Sc3Tl by Materials Project". United States. doi:https://doi.org/10.17188/1744045. https://www.osti.gov/servlets/purl/1744045. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1744045,
title = {Materials Data on Sc3Tl by Materials Project},
author = {The Materials Project},
abstractNote = {Sc3Tl is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded to eight equivalent Sc and four equivalent Tl atoms to form ScSc8Tl4 cuboctahedra that share corners with four equivalent TlSc12 cuboctahedra, corners with fourteen equivalent ScSc8Tl4 cuboctahedra, edges with six equivalent TlSc12 cuboctahedra, edges with twelve equivalent ScSc8Tl4 cuboctahedra, faces with four equivalent TlSc12 cuboctahedra, and faces with sixteen equivalent ScSc8Tl4 cuboctahedra. There are two shorter (3.19 Å) and six longer (3.24 Å) Sc–Sc bond lengths. All Sc–Tl bond lengths are 3.22 Å. Tl is bonded to twelve equivalent Sc atoms to form TlSc12 cuboctahedra that share corners with six equivalent TlSc12 cuboctahedra, corners with twelve equivalent ScSc8Tl4 cuboctahedra, edges with eighteen equivalent ScSc8Tl4 cuboctahedra, faces with eight equivalent TlSc12 cuboctahedra, and faces with twelve equivalent ScSc8Tl4 cuboctahedra.},
doi = {10.17188/1744045},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}