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Title: Materials Data on K6MnTe4 by Materials Project

Abstract

K6MnTe4 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 to four Te2- atoms to form distorted KTe4 tetrahedra that share corners with two equivalent MnTe4 tetrahedra, corners with eight equivalent KTe4 tetrahedra, and an edgeedge with one MnTe4 tetrahedra. There are a spread of K–Te bond distances ranging from 3.47–3.55 Å. In the second 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 3.60–4.09 Å. Mn2+ is bonded to four Te2- atoms to form MnTe4 tetrahedra that share corners with six equivalent KTe4 tetrahedra and edges with three equivalent KTe4 tetrahedra. All Mn–Te bond lengths are 2.78 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 1-coordinate geometry to nine K1+ and one Mn2+ atom. In the second Te2- site, Te2- is bonded in a 8-coordinate geometry to seven K1+ and one Mn2+ atom.

Authors:
Publication Date:
Other Number(s):
mp-18246
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; K6MnTe4; K-Mn-Te
OSTI Identifier:
1193006
DOI:
https://doi.org/10.17188/1193006

Citation Formats

The Materials Project. Materials Data on K6MnTe4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1193006.
The Materials Project. Materials Data on K6MnTe4 by Materials Project. United States. doi:https://doi.org/10.17188/1193006
The Materials Project. 2020. "Materials Data on K6MnTe4 by Materials Project". United States. doi:https://doi.org/10.17188/1193006. https://www.osti.gov/servlets/purl/1193006. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1193006,
title = {Materials Data on K6MnTe4 by Materials Project},
author = {The Materials Project},
abstractNote = {K6MnTe4 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 to four Te2- atoms to form distorted KTe4 tetrahedra that share corners with two equivalent MnTe4 tetrahedra, corners with eight equivalent KTe4 tetrahedra, and an edgeedge with one MnTe4 tetrahedra. There are a spread of K–Te bond distances ranging from 3.47–3.55 Å. In the second 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 3.60–4.09 Å. Mn2+ is bonded to four Te2- atoms to form MnTe4 tetrahedra that share corners with six equivalent KTe4 tetrahedra and edges with three equivalent KTe4 tetrahedra. All Mn–Te bond lengths are 2.78 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 1-coordinate geometry to nine K1+ and one Mn2+ atom. In the second Te2- site, Te2- is bonded in a 8-coordinate geometry to seven K1+ and one Mn2+ atom.},
doi = {10.17188/1193006},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}