U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NaCdF3 by Materials Project
Abstract
NaCdF3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Na1+ is bonded in a 5-coordinate geometry to five F1- atoms. There are a spread of Na–F bond distances ranging from 2.14–2.40 Å. Cd2+ is bonded in a 5-coordinate geometry to five F1- atoms. There are a spread of Cd–F bond distances ranging from 2.08–2.30 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent Na1+ and two equivalent Cd2+ atoms to form a mixture of distorted edge and corner-sharing FNa2Cd2 tetrahedra. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to one Na1+ and one Cd2+ atom. In the third F1- site, F1- is bonded to two equivalent Na1+ and two equivalent Cd2+ atoms to form a mixture of distorted edge and corner-sharing FNa2Cd2 tetrahedra.
- Publication Date:
- Other Number(s):
- mp-1180887
- 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; Cd-F-Na; NaCdF3; crystal structure
- OSTI Identifier:
- 1707978
- DOI:
- https://doi.org/10.17188/1707978
Citation Formats
Materials Data on NaCdF3 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1707978.
Materials Data on NaCdF3 by Materials Project. United States. doi:https://doi.org/10.17188/1707978
2019.
"Materials Data on NaCdF3 by Materials Project". United States. doi:https://doi.org/10.17188/1707978. https://www.osti.gov/servlets/purl/1707978. Pub date:Thu Jan 10 23:00:00 EST 2019
@article{osti_1707978,
title = {Materials Data on NaCdF3 by Materials Project},
abstractNote = {NaCdF3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. Na1+ is bonded in a 5-coordinate geometry to five F1- atoms. There are a spread of Na–F bond distances ranging from 2.14–2.40 Å. Cd2+ is bonded in a 5-coordinate geometry to five F1- atoms. There are a spread of Cd–F bond distances ranging from 2.08–2.30 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent Na1+ and two equivalent Cd2+ atoms to form a mixture of distorted edge and corner-sharing FNa2Cd2 tetrahedra. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to one Na1+ and one Cd2+ atom. In the third F1- site, F1- is bonded to two equivalent Na1+ and two equivalent Cd2+ atoms to form a mixture of distorted edge and corner-sharing FNa2Cd2 tetrahedra.},
doi = {10.17188/1707978},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}