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Title: Materials Data on Tc3Pb by Materials Project

Abstract

Tc3Pb is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tc+0.67- is bonded to eight equivalent Tc+0.67- and four equivalent Pb2+ atoms to form distorted TcTc8Pb4 cuboctahedra that share corners with four equivalent PbTc12 cuboctahedra, corners with fourteen equivalent TcTc8Pb4 cuboctahedra, edges with six equivalent PbTc12 cuboctahedra, edges with twelve equivalent TcTc8Pb4 cuboctahedra, faces with four equivalent PbTc12 cuboctahedra, and faces with sixteen equivalent TcTc8Pb4 cuboctahedra. There are a spread of Tc–Tc bond distances ranging from 2.72–3.10 Å. There are two shorter (2.89 Å) and two longer (2.91 Å) Tc–Pb bond lengths. Pb2+ is bonded to twelve equivalent Tc+0.67- atoms to form PbTc12 cuboctahedra that share corners with six equivalent PbTc12 cuboctahedra, corners with twelve equivalent TcTc8Pb4 cuboctahedra, edges with eighteen equivalent TcTc8Pb4 cuboctahedra, faces with eight equivalent PbTc12 cuboctahedra, and faces with twelve equivalent TcTc8Pb4 cuboctahedra.

Publication Date:
Other Number(s):
mp-1187592
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; Tc3Pb; Pb-Tc
OSTI Identifier:
1677829
DOI:
https://doi.org/10.17188/1677829

Citation Formats

The Materials Project. Materials Data on Tc3Pb by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1677829.
The Materials Project. Materials Data on Tc3Pb by Materials Project. United States. doi:https://doi.org/10.17188/1677829
The Materials Project. 2020. "Materials Data on Tc3Pb by Materials Project". United States. doi:https://doi.org/10.17188/1677829. https://www.osti.gov/servlets/purl/1677829. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1677829,
title = {Materials Data on Tc3Pb by Materials Project},
author = {The Materials Project},
abstractNote = {Tc3Pb is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tc+0.67- is bonded to eight equivalent Tc+0.67- and four equivalent Pb2+ atoms to form distorted TcTc8Pb4 cuboctahedra that share corners with four equivalent PbTc12 cuboctahedra, corners with fourteen equivalent TcTc8Pb4 cuboctahedra, edges with six equivalent PbTc12 cuboctahedra, edges with twelve equivalent TcTc8Pb4 cuboctahedra, faces with four equivalent PbTc12 cuboctahedra, and faces with sixteen equivalent TcTc8Pb4 cuboctahedra. There are a spread of Tc–Tc bond distances ranging from 2.72–3.10 Å. There are two shorter (2.89 Å) and two longer (2.91 Å) Tc–Pb bond lengths. Pb2+ is bonded to twelve equivalent Tc+0.67- atoms to form PbTc12 cuboctahedra that share corners with six equivalent PbTc12 cuboctahedra, corners with twelve equivalent TcTc8Pb4 cuboctahedra, edges with eighteen equivalent TcTc8Pb4 cuboctahedra, faces with eight equivalent PbTc12 cuboctahedra, and faces with twelve equivalent TcTc8Pb4 cuboctahedra.},
doi = {10.17188/1677829},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}