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Title: Materials Data on K2Te(IO6)2 by Materials Project

Abstract

K2Te(O6I)2 crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three K2Te(O6I)2 sheets oriented in the (0, 0, 1) direction. K is bonded to six O atoms to form distorted KO6 octahedra that share corners with three equivalent TeO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are three shorter (2.72 Å) and three longer (2.80 Å) K–O bond lengths. Te is bonded to six equivalent O atoms to form TeO6 octahedra that share corners with six equivalent KO6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Te–O bond lengths are 1.94 Å. There are two inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one K and one Te atom. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one K and one I atom. The O–I bond length is 1.84 Å. I is bonded in a trigonal non-coplanar geometry to three equivalent O atoms.

Publication Date:
Other Number(s):
mp-1189348
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(IO6)2; I-K-O-Te
OSTI Identifier:
1662247
DOI:
https://doi.org/10.17188/1662247

Citation Formats

The Materials Project. Materials Data on K2Te(IO6)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1662247.
The Materials Project. Materials Data on K2Te(IO6)2 by Materials Project. United States. doi:https://doi.org/10.17188/1662247
The Materials Project. 2019. "Materials Data on K2Te(IO6)2 by Materials Project". United States. doi:https://doi.org/10.17188/1662247. https://www.osti.gov/servlets/purl/1662247. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1662247,
title = {Materials Data on K2Te(IO6)2 by Materials Project},
author = {The Materials Project},
abstractNote = {K2Te(O6I)2 crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three K2Te(O6I)2 sheets oriented in the (0, 0, 1) direction. K is bonded to six O atoms to form distorted KO6 octahedra that share corners with three equivalent TeO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are three shorter (2.72 Å) and three longer (2.80 Å) K–O bond lengths. Te is bonded to six equivalent O atoms to form TeO6 octahedra that share corners with six equivalent KO6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Te–O bond lengths are 1.94 Å. There are two inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one K and one Te atom. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one K and one I atom. The O–I bond length is 1.84 Å. I is bonded in a trigonal non-coplanar geometry to three equivalent O atoms.},
doi = {10.17188/1662247},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}