skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on K2TeO4 by Materials Project

Abstract

K2TeO4 crystallizes in the monoclinic P2_1/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 O2- atoms. There are a spread of K–O bond distances ranging from 2.72–3.30 Å. In the second K1+ site, K1+ is bonded to six O2- atoms to form distorted KO6 octahedra that share corners with six equivalent TeO4 tetrahedra and edges with two equivalent KO6 octahedra. There are a spread of K–O bond distances ranging from 2.75–3.00 Å. Te6+ is bonded to four O2- atoms to form TeO4 tetrahedra that share corners with six equivalent KO6 octahedra. The corner-sharing octahedra tilt angles range from 37–73°. There are a spread of Te–O bond distances ranging from 1.84–1.86 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and one Te6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two K1+ and one Te6+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three K1+ and one Te6+ atom. In the fourth O2- site, O2- is bondedmore » to four K1+ and one Te6+ atom to form distorted corner-sharing OK4Te trigonal bipyramids.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-773785
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; K2TeO4; K-O-Te
OSTI Identifier:
1302178
DOI:
10.17188/1302178

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on K2TeO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1302178.
Persson, Kristin, & Project, Materials. Materials Data on K2TeO4 by Materials Project. United States. doi:10.17188/1302178.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on K2TeO4 by Materials Project". United States. doi:10.17188/1302178. https://www.osti.gov/servlets/purl/1302178. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1302178,
title = {Materials Data on K2TeO4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {K2TeO4 crystallizes in the monoclinic P2_1/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 O2- atoms. There are a spread of K–O bond distances ranging from 2.72–3.30 Å. In the second K1+ site, K1+ is bonded to six O2- atoms to form distorted KO6 octahedra that share corners with six equivalent TeO4 tetrahedra and edges with two equivalent KO6 octahedra. There are a spread of K–O bond distances ranging from 2.75–3.00 Å. Te6+ is bonded to four O2- atoms to form TeO4 tetrahedra that share corners with six equivalent KO6 octahedra. The corner-sharing octahedra tilt angles range from 37–73°. There are a spread of Te–O bond distances ranging from 1.84–1.86 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and one Te6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two K1+ and one Te6+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three K1+ and one Te6+ atom. In the fourth O2- site, O2- is bonded to four K1+ and one Te6+ atom to form distorted corner-sharing OK4Te trigonal bipyramids.},
doi = {10.17188/1302178},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

Dataset:

Save / Share: