Title: Materials Data on CrAgTe2 by Materials Project

Abstract

CrAgTe2 is Ilmenite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Cr3+ is bonded to six Te2- atoms to form edge-sharing CrTe6 octahedra. There are three shorter (2.75 Å) and three longer (2.80 Å) Cr–Te bond lengths. Ag1+ is bonded in a rectangular see-saw-like geometry to four Te2- atoms. There are one shorter (2.72 Å) and three longer (2.91 Å) Ag–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to three equivalent Cr3+ and one Ag1+ atom to form distorted corner-sharing TeCr3Ag tetrahedra. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Cr3+ and three equivalent Ag1+ atoms.

Publication Date:
Other Number(s):
mp-1018084
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; Ag-Cr-Te; CrAgTe2; crystal structure
OSTI Identifier:
1350244
DOI:
https://doi.org/10.17188/1350244

Citation Formats

Materials Data on CrAgTe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1350244.
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Materials Data on CrAgTe2 by Materials Project. United States. doi:https://doi.org/10.17188/1350244
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2020. "Materials Data on CrAgTe2 by Materials Project". United States. doi:https://doi.org/10.17188/1350244. https://www.osti.gov/servlets/purl/1350244. Pub date:Wed Jul 15 20:00:00 EDT 2020
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@article{osti_1350244,
title = {Materials Data on CrAgTe2 by Materials Project},
abstractNote = {CrAgTe2 is Ilmenite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Cr3+ is bonded to six Te2- atoms to form edge-sharing CrTe6 octahedra. There are three shorter (2.75 Å) and three longer (2.80 Å) Cr–Te bond lengths. Ag1+ is bonded in a rectangular see-saw-like geometry to four Te2- atoms. There are one shorter (2.72 Å) and three longer (2.91 Å) Ag–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to three equivalent Cr3+ and one Ag1+ atom to form distorted corner-sharing TeCr3Ag tetrahedra. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Cr3+ and three equivalent Ag1+ atoms.},
doi = {10.17188/1350244},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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DOI: https://doi.org/10.17188/1350244
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