U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K2TaF7 by Materials Project
Abstract
K2TaF7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of K–F bond distances ranging from 2.70–3.02 Å. In the second K1+ site, K1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of K–F bond distances ranging from 2.70–2.97 Å. Ta5+ is bonded in a distorted pentagonal bipyramidal geometry to seven F1- atoms. There are a spread of Ta–F bond distances ranging from 1.96–2.01 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to three K1+ and one Ta5+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to three K1+ and one Ta5+ atom. In the third F1- site, F1- is bonded in a 3-coordinate geometry to two K1+ and one Ta5+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to two K1+ and one Ta5+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to two K1+ andmore »
- Publication Date:
- Other Number(s):
- mp-3975
- 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-Ta; K2TaF7; crystal structure
- OSTI Identifier:
- 1207694
- DOI:
- https://doi.org/10.17188/1207694
Citation Formats
Materials Data on K2TaF7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1207694.
Materials Data on K2TaF7 by Materials Project. United States. doi:https://doi.org/10.17188/1207694
2020.
"Materials Data on K2TaF7 by Materials Project". United States. doi:https://doi.org/10.17188/1207694. https://www.osti.gov/servlets/purl/1207694. Pub date:Thu Apr 30 04:00:00 UTC 2020
@article{osti_1207694,
title = {Materials Data on K2TaF7 by Materials Project},
abstractNote = {K2TaF7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of K–F bond distances ranging from 2.70–3.02 Å. In the second K1+ site, K1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of K–F bond distances ranging from 2.70–2.97 Å. Ta5+ is bonded in a distorted pentagonal bipyramidal geometry to seven F1- atoms. There are a spread of Ta–F bond distances ranging from 1.96–2.01 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to three K1+ and one Ta5+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to three K1+ and one Ta5+ atom. In the third F1- site, F1- is bonded in a 3-coordinate geometry to two K1+ and one Ta5+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to two K1+ and one Ta5+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to two K1+ and one Ta5+ atom. In the sixth F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Ta5+ atom. In the seventh F1- site, F1- is bonded in a 1-coordinate geometry to three K1+ and one Ta5+ atom.},
doi = {10.17188/1207694},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}