U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TePbF6 by Materials Project
Abstract
PbTeF6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pb2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Pb–F bond distances ranging from 2.39–3.04 Å. Te4+ is bonded in a distorted square pyramidal geometry to five F1- atoms. There are a spread of Te–F bond distances ranging from 1.91–2.07 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Pb2+ and one Te4+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one Pb2+ and one Te4+ atom. In the third F1- site, F1- is bonded in a 3-coordinate geometry to three equivalent Pb2+ atoms. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Pb2+ and one Te4+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to one Pb2+ and one Te4+ atom. In the sixth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Pb2+ and one Te4+ atom.
- Publication Date:
- Other Number(s):
- mp-29178
- 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; crystal structure; F-Pb-Te; TePbF6
- OSTI Identifier:
- 1203467
- DOI:
- https://doi.org/10.17188/1203467
Citation Formats
Materials Data on TePbF6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1203467.
Materials Data on TePbF6 by Materials Project. United States. doi:https://doi.org/10.17188/1203467
2020.
"Materials Data on TePbF6 by Materials Project". United States. doi:https://doi.org/10.17188/1203467. https://www.osti.gov/servlets/purl/1203467. Pub date:Wed Jul 22 20:00:00 EDT 2020
@article{osti_1203467,
title = {Materials Data on TePbF6 by Materials Project},
abstractNote = {PbTeF6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pb2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Pb–F bond distances ranging from 2.39–3.04 Å. Te4+ is bonded in a distorted square pyramidal geometry to five F1- atoms. There are a spread of Te–F bond distances ranging from 1.91–2.07 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Pb2+ and one Te4+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one Pb2+ and one Te4+ atom. In the third F1- site, F1- is bonded in a 3-coordinate geometry to three equivalent Pb2+ atoms. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Pb2+ and one Te4+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to one Pb2+ and one Te4+ atom. In the sixth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Pb2+ and one Te4+ atom.},
doi = {10.17188/1203467},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}