Materials Data on Te7(OF5)6 by Materials Project
Abstract
Te7(OF5)6 is Copper structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of three Te7(OF5)6 clusters. there are two inequivalent Te6+ sites. In the first Te6+ site, Te6+ is bonded to one O2- and five F1- atoms to form corner-sharing TeOF5 octahedra. The corner-sharing octahedral tilt angles are 43°. The Te–O bond length is 1.94 Å. There is one shorter (1.86 Å) and four longer (1.87 Å) Te–F bond length. In the second Te6+ site, Te6+ is bonded to six equivalent O2- atoms to form corner-sharing TeO6 octahedra. The corner-sharing octahedral tilt angles are 43°. All Te–O bond lengths are 1.96 Å. O2- is bonded in a distorted bent 150 degrees geometry to two Te6+ atoms. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the fifth F1- site, F1- is bondedmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-560802
- 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; Te7(OF5)6; F-O-Te
- OSTI Identifier:
- 1271667
- DOI:
- https://doi.org/10.17188/1271667
Citation Formats
The Materials Project. Materials Data on Te7(OF5)6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1271667.
The Materials Project. Materials Data on Te7(OF5)6 by Materials Project. United States. doi:https://doi.org/10.17188/1271667
The Materials Project. 2020.
"Materials Data on Te7(OF5)6 by Materials Project". United States. doi:https://doi.org/10.17188/1271667. https://www.osti.gov/servlets/purl/1271667. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1271667,
title = {Materials Data on Te7(OF5)6 by Materials Project},
author = {The Materials Project},
abstractNote = {Te7(OF5)6 is Copper structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of three Te7(OF5)6 clusters. there are two inequivalent Te6+ sites. In the first Te6+ site, Te6+ is bonded to one O2- and five F1- atoms to form corner-sharing TeOF5 octahedra. The corner-sharing octahedral tilt angles are 43°. The Te–O bond length is 1.94 Å. There is one shorter (1.86 Å) and four longer (1.87 Å) Te–F bond length. In the second Te6+ site, Te6+ is bonded to six equivalent O2- atoms to form corner-sharing TeO6 octahedra. The corner-sharing octahedral tilt angles are 43°. All Te–O bond lengths are 1.96 Å. O2- is bonded in a distorted bent 150 degrees geometry to two Te6+ atoms. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Te6+ atom.},
doi = {10.17188/1271667},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}