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Title: Materials Data on Ta3Co2Mo by Materials Project

Abstract

Ta3MoCo2 is Khatyrkite-derived structured and crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 7-coordinate geometry to three equivalent Mo and four equivalent Co atoms. There are one shorter (2.70 Å) and two longer (2.92 Å) Ta–Mo bond lengths. All Ta–Co bond lengths are 2.61 Å. In the second Ta site, Ta is bonded in a 4-coordinate geometry to four equivalent Mo and four equivalent Co atoms. There are two shorter (3.13 Å) and two longer (3.23 Å) Ta–Mo bond lengths. All Ta–Co bond lengths are 2.58 Å. Mo is bonded in a 1-coordinate geometry to eleven Ta and four equivalent Co atoms. All Mo–Co bond lengths are 2.61 Å. Co is bonded in a 10-coordinate geometry to six Ta, two equivalent Mo, and two equivalent Co atoms. Both Co–Co bond lengths are 2.47 Å.

Authors:
Publication Date:
Other Number(s):
mp-1217987
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; Ta3Co2Mo; Co-Mo-Ta
OSTI Identifier:
1665559
DOI:
https://doi.org/10.17188/1665559

Citation Formats

The Materials Project. Materials Data on Ta3Co2Mo by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1665559.
The Materials Project. Materials Data on Ta3Co2Mo by Materials Project. United States. doi:https://doi.org/10.17188/1665559
The Materials Project. 2020. "Materials Data on Ta3Co2Mo by Materials Project". United States. doi:https://doi.org/10.17188/1665559. https://www.osti.gov/servlets/purl/1665559. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1665559,
title = {Materials Data on Ta3Co2Mo by Materials Project},
author = {The Materials Project},
abstractNote = {Ta3MoCo2 is Khatyrkite-derived structured and crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 7-coordinate geometry to three equivalent Mo and four equivalent Co atoms. There are one shorter (2.70 Å) and two longer (2.92 Å) Ta–Mo bond lengths. All Ta–Co bond lengths are 2.61 Å. In the second Ta site, Ta is bonded in a 4-coordinate geometry to four equivalent Mo and four equivalent Co atoms. There are two shorter (3.13 Å) and two longer (3.23 Å) Ta–Mo bond lengths. All Ta–Co bond lengths are 2.58 Å. Mo is bonded in a 1-coordinate geometry to eleven Ta and four equivalent Co atoms. All Mo–Co bond lengths are 2.61 Å. Co is bonded in a 10-coordinate geometry to six Ta, two equivalent Mo, and two equivalent Co atoms. Both Co–Co bond lengths are 2.47 Å.},
doi = {10.17188/1665559},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}