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Title: Materials Data on KAlTe2 by Materials Project

Abstract

KAlTe2 crystallizes in the monoclinic C2/c 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 3.57–3.72 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 3.67–3.72 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four Te2- atoms to form corner-sharing AlTe4 tetrahedra. There are a spread of Al–Te bond distances ranging from 2.63–2.66 Å. In the second Al3+ site, Al3+ is bonded to four Te2- atoms to form corner-sharing AlTe4 tetrahedra. There are a spread of Al–Te bond distances ranging from 2.63–2.66 Å. There are five inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a distorted rectangular see-saw-like geometry to two K1+ and two Al3+ atoms. In the second Te2- site, Te2- is bonded in a 2-coordinate geometry to four K1+ and two Al3+ atoms. In the third Te2- site, Te2- is bonded in a 4-coordinate geometry to two K1+ andmore » two Al3+ atoms. In the fourth Te2- site, Te2- is bonded in a 2-coordinate geometry to four K1+ and two equivalent Al3+ atoms. In the fifth Te2- site, Te2- is bonded in a 2-coordinate geometry to four K1+ and two equivalent Al3+ atoms.« less

Publication Date:
Other Number(s):
mp-18347
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; KAlTe2; Al-K-Te
OSTI Identifier:
1193070
DOI:
https://doi.org/10.17188/1193070

Citation Formats

The Materials Project. Materials Data on KAlTe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1193070.
The Materials Project. Materials Data on KAlTe2 by Materials Project. United States. doi:https://doi.org/10.17188/1193070
The Materials Project. 2020. "Materials Data on KAlTe2 by Materials Project". United States. doi:https://doi.org/10.17188/1193070. https://www.osti.gov/servlets/purl/1193070. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1193070,
title = {Materials Data on KAlTe2 by Materials Project},
author = {The Materials Project},
abstractNote = {KAlTe2 crystallizes in the monoclinic C2/c 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 3.57–3.72 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 3.67–3.72 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four Te2- atoms to form corner-sharing AlTe4 tetrahedra. There are a spread of Al–Te bond distances ranging from 2.63–2.66 Å. In the second Al3+ site, Al3+ is bonded to four Te2- atoms to form corner-sharing AlTe4 tetrahedra. There are a spread of Al–Te bond distances ranging from 2.63–2.66 Å. There are five inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a distorted rectangular see-saw-like geometry to two K1+ and two Al3+ atoms. In the second Te2- site, Te2- is bonded in a 2-coordinate geometry to four K1+ and two Al3+ atoms. In the third Te2- site, Te2- is bonded in a 4-coordinate geometry to two K1+ and two Al3+ atoms. In the fourth Te2- site, Te2- is bonded in a 2-coordinate geometry to four K1+ and two equivalent Al3+ atoms. In the fifth Te2- site, Te2- is bonded in a 2-coordinate geometry to four K1+ and two equivalent Al3+ atoms.},
doi = {10.17188/1193070},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}