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Title: Materials Data on TcIr3 by Materials Project

Abstract

TcIr3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tc is bonded to twelve equivalent Ir atoms to form TcIr12 cuboctahedra that share corners with six equivalent TcIr12 cuboctahedra, corners with twelve equivalent IrTc4Ir8 cuboctahedra, edges with eighteen equivalent IrTc4Ir8 cuboctahedra, faces with eight equivalent TcIr12 cuboctahedra, and faces with twelve equivalent IrTc4Ir8 cuboctahedra. There are six shorter (2.71 Å) and six longer (2.76 Å) Tc–Ir bond lengths. Ir is bonded to four equivalent Tc and eight equivalent Ir atoms to form distorted IrTc4Ir8 cuboctahedra that share corners with four equivalent TcIr12 cuboctahedra, corners with fourteen equivalent IrTc4Ir8 cuboctahedra, edges with six equivalent TcIr12 cuboctahedra, edges with twelve equivalent IrTc4Ir8 cuboctahedra, faces with four equivalent TcIr12 cuboctahedra, and faces with sixteen equivalent IrTc4Ir8 cuboctahedra. There are a spread of Ir–Ir bond distances ranging from 2.71–2.77 Å.

Authors:
Publication Date:
Other Number(s):
mp-867345
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; TcIr3; Ir-Tc
OSTI Identifier:
1312011
DOI:
https://doi.org/10.17188/1312011

Citation Formats

The Materials Project. Materials Data on TcIr3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1312011.
The Materials Project. Materials Data on TcIr3 by Materials Project. United States. doi:https://doi.org/10.17188/1312011
The Materials Project. 2020. "Materials Data on TcIr3 by Materials Project". United States. doi:https://doi.org/10.17188/1312011. https://www.osti.gov/servlets/purl/1312011. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1312011,
title = {Materials Data on TcIr3 by Materials Project},
author = {The Materials Project},
abstractNote = {TcIr3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tc is bonded to twelve equivalent Ir atoms to form TcIr12 cuboctahedra that share corners with six equivalent TcIr12 cuboctahedra, corners with twelve equivalent IrTc4Ir8 cuboctahedra, edges with eighteen equivalent IrTc4Ir8 cuboctahedra, faces with eight equivalent TcIr12 cuboctahedra, and faces with twelve equivalent IrTc4Ir8 cuboctahedra. There are six shorter (2.71 Å) and six longer (2.76 Å) Tc–Ir bond lengths. Ir is bonded to four equivalent Tc and eight equivalent Ir atoms to form distorted IrTc4Ir8 cuboctahedra that share corners with four equivalent TcIr12 cuboctahedra, corners with fourteen equivalent IrTc4Ir8 cuboctahedra, edges with six equivalent TcIr12 cuboctahedra, edges with twelve equivalent IrTc4Ir8 cuboctahedra, faces with four equivalent TcIr12 cuboctahedra, and faces with sixteen equivalent IrTc4Ir8 cuboctahedra. There are a spread of Ir–Ir bond distances ranging from 2.71–2.77 Å.},
doi = {10.17188/1312011},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}