U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NaTmCl4 by Materials Project
Abstract
NaTmCl4 is Hydrophilite-derived structured and crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Na1+ is bonded to six Cl1- atoms to form NaCl6 octahedra that share corners with eight equivalent TmCl6 octahedra and edges with two equivalent NaCl6 octahedra. The corner-sharing octahedra tilt angles range from 44–55°. There are a spread of Na–Cl bond distances ranging from 2.80–2.96 Å. Tm3+ is bonded to six Cl1- atoms to form TmCl6 octahedra that share corners with eight equivalent NaCl6 octahedra and edges with two equivalent TmCl6 octahedra. The corner-sharing octahedra tilt angles range from 44–55°. There are a spread of Tm–Cl bond distances ranging from 2.53–2.72 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a trigonal planar geometry to one Na1+ and two equivalent Tm3+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted trigonal planar geometry to two equivalent Na1+ and one Tm3+ atom.
- Publication Date:
- Other Number(s):
- mp-1209998
- 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; Cl-Na-Tm; NaTmCl4; crystal structure
- OSTI Identifier:
- 1719682
- DOI:
- https://doi.org/10.17188/1719682
Citation Formats
Materials Data on NaTmCl4 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1719682.
Materials Data on NaTmCl4 by Materials Project. United States. doi:https://doi.org/10.17188/1719682
2019.
"Materials Data on NaTmCl4 by Materials Project". United States. doi:https://doi.org/10.17188/1719682. https://www.osti.gov/servlets/purl/1719682. Pub date:Sat Jan 12 04:00:00 UTC 2019
@article{osti_1719682,
title = {Materials Data on NaTmCl4 by Materials Project},
abstractNote = {NaTmCl4 is Hydrophilite-derived structured and crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Na1+ is bonded to six Cl1- atoms to form NaCl6 octahedra that share corners with eight equivalent TmCl6 octahedra and edges with two equivalent NaCl6 octahedra. The corner-sharing octahedra tilt angles range from 44–55°. There are a spread of Na–Cl bond distances ranging from 2.80–2.96 Å. Tm3+ is bonded to six Cl1- atoms to form TmCl6 octahedra that share corners with eight equivalent NaCl6 octahedra and edges with two equivalent TmCl6 octahedra. The corner-sharing octahedra tilt angles range from 44–55°. There are a spread of Tm–Cl bond distances ranging from 2.53–2.72 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a trigonal planar geometry to one Na1+ and two equivalent Tm3+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted trigonal planar geometry to two equivalent Na1+ and one Tm3+ atom.},
doi = {10.17188/1719682},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}