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Title: Materials Data on K6CdTe4 by Materials Project

Abstract

K6CdTe4 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six Te2- atoms. There are a spread of K–Te bond distances ranging from 3.60–4.18 Å. In the second K1+ site, K1+ is bonded to four Te2- atoms to form distorted KTe4 tetrahedra that share corners with two equivalent CdTe4 tetrahedra, corners with eight equivalent KTe4 tetrahedra, and an edgeedge with one CdTe4 tetrahedra. There are a spread of K–Te bond distances ranging from 3.46–3.57 Å. Cd2+ is bonded to four Te2- atoms to form CdTe4 tetrahedra that share corners with six equivalent KTe4 tetrahedra and edges with three equivalent KTe4 tetrahedra. There are three shorter (2.90 Å) and one longer (2.92 Å) Cd–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 8-coordinate geometry to seven K1+ and one Cd2+ atom. In the second Te2- site, Te2- is bonded in a 7-coordinate geometry to nine K1+ and one Cd2+ atom.

Authors:
Publication Date:
Other Number(s):
mp-17698
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; K6CdTe4; Cd-K-Te
OSTI Identifier:
1192640
DOI:
https://doi.org/10.17188/1192640

Citation Formats

The Materials Project. Materials Data on K6CdTe4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192640.
The Materials Project. Materials Data on K6CdTe4 by Materials Project. United States. doi:https://doi.org/10.17188/1192640
The Materials Project. 2020. "Materials Data on K6CdTe4 by Materials Project". United States. doi:https://doi.org/10.17188/1192640. https://www.osti.gov/servlets/purl/1192640. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1192640,
title = {Materials Data on K6CdTe4 by Materials Project},
author = {The Materials Project},
abstractNote = {K6CdTe4 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six Te2- atoms. There are a spread of K–Te bond distances ranging from 3.60–4.18 Å. In the second K1+ site, K1+ is bonded to four Te2- atoms to form distorted KTe4 tetrahedra that share corners with two equivalent CdTe4 tetrahedra, corners with eight equivalent KTe4 tetrahedra, and an edgeedge with one CdTe4 tetrahedra. There are a spread of K–Te bond distances ranging from 3.46–3.57 Å. Cd2+ is bonded to four Te2- atoms to form CdTe4 tetrahedra that share corners with six equivalent KTe4 tetrahedra and edges with three equivalent KTe4 tetrahedra. There are three shorter (2.90 Å) and one longer (2.92 Å) Cd–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 8-coordinate geometry to seven K1+ and one Cd2+ atom. In the second Te2- site, Te2- is bonded in a 7-coordinate geometry to nine K1+ and one Cd2+ atom.},
doi = {10.17188/1192640},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}