U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KTe3O6F by Materials Project
Abstract
KTe3O6F crystallizes in the trigonal R-3 space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to six O2- and one F1- atom. There are three shorter (2.90 Å) and three longer (2.96 Å) K–O bond lengths. The K–F bond length is 2.81 Å. Te4+ is bonded to four O2- and one F1- atom to form a mixture of distorted edge and corner-sharing TeO4F square pyramids. There are a spread of Te–O bond distances ranging from 1.93–2.21 Å. The Te–F bond length is 2.49 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one K1+ and two equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one K1+ and two equivalent Te4+ atoms. F1- is bonded in a distorted trigonal pyramidal geometry to one K1+ and three equivalent Te4+ atoms.
- Publication Date:
- Other Number(s):
- mp-554818
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; F-K-O-Te; KTe3O6F; crystal structure
- OSTI Identifier:
- 1268124
- DOI:
- https://doi.org/10.17188/1268124
Citation Formats
Materials Data on KTe3O6F by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1268124.
Materials Data on KTe3O6F by Materials Project. United States. doi:https://doi.org/10.17188/1268124
2020.
"Materials Data on KTe3O6F by Materials Project". United States. doi:https://doi.org/10.17188/1268124. https://www.osti.gov/servlets/purl/1268124. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1268124,
title = {Materials Data on KTe3O6F by Materials Project},
abstractNote = {KTe3O6F crystallizes in the trigonal R-3 space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to six O2- and one F1- atom. There are three shorter (2.90 Å) and three longer (2.96 Å) K–O bond lengths. The K–F bond length is 2.81 Å. Te4+ is bonded to four O2- and one F1- atom to form a mixture of distorted edge and corner-sharing TeO4F square pyramids. There are a spread of Te–O bond distances ranging from 1.93–2.21 Å. The Te–F bond length is 2.49 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one K1+ and two equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one K1+ and two equivalent Te4+ atoms. F1- is bonded in a distorted trigonal pyramidal geometry to one K1+ and three equivalent Te4+ atoms.},
doi = {10.17188/1268124},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}