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

Title: Materials Data on K2Te2O5 by Materials Project

Abstract

K2Te2O5 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 7-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.81–3.35 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.71–3.14 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.86–2.23 Å. In the second Te4+ site, Te4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.88 Å) and one longer (1.94 Å) Te–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Te4+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four K1+ and one Te4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one K1+ andmore » two Te4+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two K1+ and one Te4+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to four K1+ and two equivalent Te4+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-29129
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; K2Te2O5; K-O-Te
OSTI Identifier:
1203264
DOI:
https://doi.org/10.17188/1203264

Citation Formats

The Materials Project. Materials Data on K2Te2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203264.
The Materials Project. Materials Data on K2Te2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1203264
The Materials Project. 2020. "Materials Data on K2Te2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1203264. https://www.osti.gov/servlets/purl/1203264. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1203264,
title = {Materials Data on K2Te2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {K2Te2O5 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 7-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.81–3.35 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.71–3.14 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.86–2.23 Å. In the second Te4+ site, Te4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.88 Å) and one longer (1.94 Å) Te–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four K1+ and one Te4+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four K1+ and one Te4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one K1+ and two Te4+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two K1+ and one Te4+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to four K1+ and two equivalent Te4+ atoms.},
doi = {10.17188/1203264},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}