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Title: Materials Data on TcGe3 by Materials Project

Abstract

TcGe3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tc is bonded to twelve Ge atoms to form TcGe12 cuboctahedra that share corners with four equivalent TcGe12 cuboctahedra, corners with eight equivalent GeTc4Ge8 cuboctahedra, edges with eight equivalent TcGe12 cuboctahedra, edges with sixteen equivalent GeTc4Ge8 cuboctahedra, faces with four equivalent TcGe12 cuboctahedra, and faces with fourteen GeTc4Ge8 cuboctahedra. There are eight shorter (2.80 Å) and four longer (2.88 Å) Tc–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to four equivalent Tc and eight Ge atoms to form GeTc4Ge8 cuboctahedra that share corners with twelve equivalent GeTc4Ge8 cuboctahedra, edges with eight equivalent TcGe12 cuboctahedra, edges with sixteen GeTc4Ge8 cuboctahedra, faces with four equivalent TcGe12 cuboctahedra, and faces with fourteen GeTc4Ge8 cuboctahedra. There are four shorter (2.80 Å) and four longer (2.88 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded to four equivalent Tc and eight equivalent Ge atoms to form GeTc4Ge8 cuboctahedra that share corners with four equivalent GeTc4Ge8 cuboctahedra, corners with eight equivalent TcGe12 cuboctahedra, edges with twenty-four GeTc4Ge8 cuboctahedra, faces with six equivalent TcGe12 cuboctahedra, and facesmore » with twelve GeTc4Ge8 cuboctahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-972077
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; TcGe3; Ge-Tc
OSTI Identifier:
1313719
DOI:
https://doi.org/10.17188/1313719

Citation Formats

The Materials Project. Materials Data on TcGe3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1313719.
The Materials Project. Materials Data on TcGe3 by Materials Project. United States. doi:https://doi.org/10.17188/1313719
The Materials Project. 2020. "Materials Data on TcGe3 by Materials Project". United States. doi:https://doi.org/10.17188/1313719. https://www.osti.gov/servlets/purl/1313719. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1313719,
title = {Materials Data on TcGe3 by Materials Project},
author = {The Materials Project},
abstractNote = {TcGe3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tc is bonded to twelve Ge atoms to form TcGe12 cuboctahedra that share corners with four equivalent TcGe12 cuboctahedra, corners with eight equivalent GeTc4Ge8 cuboctahedra, edges with eight equivalent TcGe12 cuboctahedra, edges with sixteen equivalent GeTc4Ge8 cuboctahedra, faces with four equivalent TcGe12 cuboctahedra, and faces with fourteen GeTc4Ge8 cuboctahedra. There are eight shorter (2.80 Å) and four longer (2.88 Å) Tc–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to four equivalent Tc and eight Ge atoms to form GeTc4Ge8 cuboctahedra that share corners with twelve equivalent GeTc4Ge8 cuboctahedra, edges with eight equivalent TcGe12 cuboctahedra, edges with sixteen GeTc4Ge8 cuboctahedra, faces with four equivalent TcGe12 cuboctahedra, and faces with fourteen GeTc4Ge8 cuboctahedra. There are four shorter (2.80 Å) and four longer (2.88 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded to four equivalent Tc and eight equivalent Ge atoms to form GeTc4Ge8 cuboctahedra that share corners with four equivalent GeTc4Ge8 cuboctahedra, corners with eight equivalent TcGe12 cuboctahedra, edges with twenty-four GeTc4Ge8 cuboctahedra, faces with six equivalent TcGe12 cuboctahedra, and faces with twelve GeTc4Ge8 cuboctahedra.},
doi = {10.17188/1313719},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}