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.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1189348
- 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; 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}
}