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Title: Materials Data on K2Te(WO)3 by Materials Project

Abstract

K2Te(WO)3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 2-coordinate geometry to three equivalent Te2- atoms. There are two shorter (3.45 Å) and one longer (3.64 Å) K–Te bond lengths. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to one Te2- and five O2- atoms. The K–Te bond length is 3.29 Å. There are a spread of K–O bond distances ranging from 2.65–3.06 Å. There are two inequivalent W2+ sites. In the first W2+ site, W2+ is bonded in a water-like geometry to two equivalent O2- atoms. Both W–O bond lengths are 1.95 Å. In the second W2+ site, W2+ is bonded in a distorted L-shaped geometry to two equivalent Te2- and two O2- atoms. There are one shorter (3.07 Å) and one longer (3.12 Å) W–Te bond lengths. There are one shorter (2.01 Å) and one longer (2.13 Å) W–O bond lengths. Te2- is bonded in a 10-coordinate geometry to four K1+, four equivalent W2+, and two equivalent O2- atoms. There are one shorter (3.46 Å) and one longer (3.83 Å) Te–O bond lengths. There aremore » two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one K1+, two equivalent W2+, and two equivalent Te2- atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent K1+ and two W2+ atoms.« less

Publication Date:
Other Number(s):
mp-1212731
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; K2Te(WO)3; K-O-Te-W
OSTI Identifier:
1728780
DOI:
https://doi.org/10.17188/1728780

Citation Formats

The Materials Project. Materials Data on K2Te(WO)3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1728780.
The Materials Project. Materials Data on K2Te(WO)3 by Materials Project. United States. doi:https://doi.org/10.17188/1728780
The Materials Project. 2019. "Materials Data on K2Te(WO)3 by Materials Project". United States. doi:https://doi.org/10.17188/1728780. https://www.osti.gov/servlets/purl/1728780. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1728780,
title = {Materials Data on K2Te(WO)3 by Materials Project},
author = {The Materials Project},
abstractNote = {K2Te(WO)3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 2-coordinate geometry to three equivalent Te2- atoms. There are two shorter (3.45 Å) and one longer (3.64 Å) K–Te bond lengths. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to one Te2- and five O2- atoms. The K–Te bond length is 3.29 Å. There are a spread of K–O bond distances ranging from 2.65–3.06 Å. There are two inequivalent W2+ sites. In the first W2+ site, W2+ is bonded in a water-like geometry to two equivalent O2- atoms. Both W–O bond lengths are 1.95 Å. In the second W2+ site, W2+ is bonded in a distorted L-shaped geometry to two equivalent Te2- and two O2- atoms. There are one shorter (3.07 Å) and one longer (3.12 Å) W–Te bond lengths. There are one shorter (2.01 Å) and one longer (2.13 Å) W–O bond lengths. Te2- is bonded in a 10-coordinate geometry to four K1+, four equivalent W2+, and two equivalent O2- atoms. There are one shorter (3.46 Å) and one longer (3.83 Å) Te–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one K1+, two equivalent W2+, and two equivalent Te2- atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent K1+ and two W2+ atoms.},
doi = {10.17188/1728780},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}