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Title: Materials Data on CaTa2Tl by Materials Project

Abstract

CaTa2Tl crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ca is bonded in a distorted body-centered cubic geometry to ten Ta and four equivalent Tl atoms. There are four shorter (3.04 Å) and six longer (3.51 Å) Ca–Ta bond lengths. All Ca–Tl bond lengths are 3.04 Å. There are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 4-coordinate geometry to six equivalent Ca, four equivalent Ta, and four equivalent Tl atoms. All Ta–Ta bond lengths are 3.04 Å. All Ta–Tl bond lengths are 3.04 Å. In the second Ta site, Ta is bonded to four equivalent Ca and four equivalent Ta atoms to form distorted edge-sharing TaCa4Ta4 tetrahedra. Tl is bonded in a distorted body-centered cubic geometry to four equivalent Ca and four equivalent Ta atoms.

Authors:
Publication Date:
Other Number(s):
mp-631411
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; CaTa2Tl; Ca-Ta-Tl
OSTI Identifier:
1279133
DOI:
https://doi.org/10.17188/1279133

Citation Formats

The Materials Project. Materials Data on CaTa2Tl by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279133.
The Materials Project. Materials Data on CaTa2Tl by Materials Project. United States. doi:https://doi.org/10.17188/1279133
The Materials Project. 2020. "Materials Data on CaTa2Tl by Materials Project". United States. doi:https://doi.org/10.17188/1279133. https://www.osti.gov/servlets/purl/1279133. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1279133,
title = {Materials Data on CaTa2Tl by Materials Project},
author = {The Materials Project},
abstractNote = {CaTa2Tl crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ca is bonded in a distorted body-centered cubic geometry to ten Ta and four equivalent Tl atoms. There are four shorter (3.04 Å) and six longer (3.51 Å) Ca–Ta bond lengths. All Ca–Tl bond lengths are 3.04 Å. There are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 4-coordinate geometry to six equivalent Ca, four equivalent Ta, and four equivalent Tl atoms. All Ta–Ta bond lengths are 3.04 Å. All Ta–Tl bond lengths are 3.04 Å. In the second Ta site, Ta is bonded to four equivalent Ca and four equivalent Ta atoms to form distorted edge-sharing TaCa4Ta4 tetrahedra. Tl is bonded in a distorted body-centered cubic geometry to four equivalent Ca and four equivalent Ta atoms.},
doi = {10.17188/1279133},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}