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Title: Materials Data on ErCuTe2 by Materials Project

Abstract

ErCuTe2 crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Er3+ is bonded to six Te2- atoms to form ErTe6 octahedra that share corners with six equivalent CuTe4 tetrahedra, edges with six equivalent ErTe6 octahedra, and edges with three equivalent CuTe4 tetrahedra. There are three shorter (3.01 Å) and three longer (3.14 Å) Er–Te bond lengths. Cu1+ is bonded to four Te2- atoms to form CuTe4 tetrahedra that share corners with six equivalent ErTe6 octahedra, corners with six equivalent CuTe4 tetrahedra, and edges with three equivalent ErTe6 octahedra. The corner-sharing octahedra tilt angles range from 22–57°. There are three shorter (2.61 Å) and one longer (2.64 Å) Cu–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Er3+ and one Cu1+ atom. In the second Te2- site, Te2- is bonded to three equivalent Er3+ and three equivalent Cu1+ atoms to form distorted edge-sharing TeEr3Cu3 octahedra.

Authors:
Publication Date:
Other Number(s):
mp-1225521
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; ErCuTe2; Cu-Er-Te
OSTI Identifier:
1734033
DOI:
https://doi.org/10.17188/1734033

Citation Formats

The Materials Project. Materials Data on ErCuTe2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1734033.
The Materials Project. Materials Data on ErCuTe2 by Materials Project. United States. doi:https://doi.org/10.17188/1734033
The Materials Project. 2019. "Materials Data on ErCuTe2 by Materials Project". United States. doi:https://doi.org/10.17188/1734033. https://www.osti.gov/servlets/purl/1734033. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1734033,
title = {Materials Data on ErCuTe2 by Materials Project},
author = {The Materials Project},
abstractNote = {ErCuTe2 crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Er3+ is bonded to six Te2- atoms to form ErTe6 octahedra that share corners with six equivalent CuTe4 tetrahedra, edges with six equivalent ErTe6 octahedra, and edges with three equivalent CuTe4 tetrahedra. There are three shorter (3.01 Å) and three longer (3.14 Å) Er–Te bond lengths. Cu1+ is bonded to four Te2- atoms to form CuTe4 tetrahedra that share corners with six equivalent ErTe6 octahedra, corners with six equivalent CuTe4 tetrahedra, and edges with three equivalent ErTe6 octahedra. The corner-sharing octahedra tilt angles range from 22–57°. There are three shorter (2.61 Å) and one longer (2.64 Å) Cu–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Er3+ and one Cu1+ atom. In the second Te2- site, Te2- is bonded to three equivalent Er3+ and three equivalent Cu1+ atoms to form distorted edge-sharing TeEr3Cu3 octahedra.},
doi = {10.17188/1734033},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}