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Title: Materials Data on KErTe2 by Materials Project

Abstract

KErTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded to six equivalent Te2- atoms to form distorted KTe6 octahedra that share corners with six equivalent ErTe6 octahedra, edges with six equivalent KTe6 octahedra, and edges with six equivalent ErTe6 octahedra. The corner-sharing octahedral tilt angles are 10°. All K–Te bond lengths are 3.54 Å. Er3+ is bonded to six equivalent Te2- atoms to form ErTe6 octahedra that share corners with six equivalent KTe6 octahedra, edges with six equivalent KTe6 octahedra, and edges with six equivalent ErTe6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Er–Te bond lengths are 3.09 Å. Te2- is bonded to three equivalent K1+ and three equivalent Er3+ atoms to form a mixture of edge and corner-sharing TeK3Er3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Publication Date:
Other Number(s):
mp-9263
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; KErTe2; Er-K-Te
OSTI Identifier:
1313099
DOI:
https://doi.org/10.17188/1313099

Citation Formats

The Materials Project. Materials Data on KErTe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1313099.
The Materials Project. Materials Data on KErTe2 by Materials Project. United States. doi:https://doi.org/10.17188/1313099
The Materials Project. 2020. "Materials Data on KErTe2 by Materials Project". United States. doi:https://doi.org/10.17188/1313099. https://www.osti.gov/servlets/purl/1313099. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1313099,
title = {Materials Data on KErTe2 by Materials Project},
author = {The Materials Project},
abstractNote = {KErTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded to six equivalent Te2- atoms to form distorted KTe6 octahedra that share corners with six equivalent ErTe6 octahedra, edges with six equivalent KTe6 octahedra, and edges with six equivalent ErTe6 octahedra. The corner-sharing octahedral tilt angles are 10°. All K–Te bond lengths are 3.54 Å. Er3+ is bonded to six equivalent Te2- atoms to form ErTe6 octahedra that share corners with six equivalent KTe6 octahedra, edges with six equivalent KTe6 octahedra, and edges with six equivalent ErTe6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Er–Te bond lengths are 3.09 Å. Te2- is bonded to three equivalent K1+ and three equivalent Er3+ atoms to form a mixture of edge and corner-sharing TeK3Er3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1313099},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}