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Title: Materials Data on K8CaTe6 by Materials Project

Abstract

K8CaTe6 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six Te+1.67- atoms. There are a spread of K–Te bond distances ranging from 3.59–3.78 Å. Ca2+ is bonded in a tetrahedral geometry to four equivalent Te+1.67- atoms. All Ca–Te bond lengths are 3.18 Å. There are two inequivalent Te+1.67- sites. In the first Te+1.67- site, Te+1.67- is bonded in a 9-coordinate geometry to eight equivalent K1+ and one Ca2+ atom. In the second Te+1.67- site, Te+1.67- is bonded in a 10-coordinate geometry to eight equivalent K1+ and two equivalent Te+1.67- atoms. Both Te–Te bond lengths are 3.16 Å.

Authors:
Publication Date:
Other Number(s):
mp-1223602
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; K8CaTe6; Ca-K-Te
OSTI Identifier:
1690922
DOI:
https://doi.org/10.17188/1690922

Citation Formats

The Materials Project. Materials Data on K8CaTe6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1690922.
The Materials Project. Materials Data on K8CaTe6 by Materials Project. United States. doi:https://doi.org/10.17188/1690922
The Materials Project. 2020. "Materials Data on K8CaTe6 by Materials Project". United States. doi:https://doi.org/10.17188/1690922. https://www.osti.gov/servlets/purl/1690922. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1690922,
title = {Materials Data on K8CaTe6 by Materials Project},
author = {The Materials Project},
abstractNote = {K8CaTe6 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six Te+1.67- atoms. There are a spread of K–Te bond distances ranging from 3.59–3.78 Å. Ca2+ is bonded in a tetrahedral geometry to four equivalent Te+1.67- atoms. All Ca–Te bond lengths are 3.18 Å. There are two inequivalent Te+1.67- sites. In the first Te+1.67- site, Te+1.67- is bonded in a 9-coordinate geometry to eight equivalent K1+ and one Ca2+ atom. In the second Te+1.67- site, Te+1.67- is bonded in a 10-coordinate geometry to eight equivalent K1+ and two equivalent Te+1.67- atoms. Both Te–Te bond lengths are 3.16 Å.},
doi = {10.17188/1690922},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}