DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Na2LiTmCl6 by Materials Project

Abstract

Na2LiTmCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded to twelve equivalent Cl1- atoms to form distorted NaCl12 cuboctahedra that share corners with twelve equivalent NaCl12 cuboctahedra, faces with six equivalent NaCl12 cuboctahedra, faces with four equivalent LiCl6 octahedra, and faces with four equivalent TmCl6 octahedra. All Na–Cl bond lengths are 3.60 Å. Li1+ is bonded to six equivalent Cl1- atoms to form LiCl6 octahedra that share corners with six equivalent TmCl6 octahedra and faces with eight equivalent NaCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–Cl bond lengths are 2.52 Å. Tm3+ is bonded to six equivalent Cl1- atoms to form TmCl6 octahedra that share corners with six equivalent LiCl6 octahedra and faces with eight equivalent NaCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tm–Cl bond lengths are 2.58 Å. Cl1- is bonded in a linear geometry to four equivalent Na1+, one Li1+, and one Tm3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1113284
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; Na2LiTmCl6; Cl-Li-Na-Tm
OSTI Identifier:
1682146
DOI:
https://doi.org/10.17188/1682146

Citation Formats

The Materials Project. Materials Data on Na2LiTmCl6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1682146.
The Materials Project. Materials Data on Na2LiTmCl6 by Materials Project. United States. doi:https://doi.org/10.17188/1682146
The Materials Project. 2020. "Materials Data on Na2LiTmCl6 by Materials Project". United States. doi:https://doi.org/10.17188/1682146. https://www.osti.gov/servlets/purl/1682146. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1682146,
title = {Materials Data on Na2LiTmCl6 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2LiTmCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded to twelve equivalent Cl1- atoms to form distorted NaCl12 cuboctahedra that share corners with twelve equivalent NaCl12 cuboctahedra, faces with six equivalent NaCl12 cuboctahedra, faces with four equivalent LiCl6 octahedra, and faces with four equivalent TmCl6 octahedra. All Na–Cl bond lengths are 3.60 Å. Li1+ is bonded to six equivalent Cl1- atoms to form LiCl6 octahedra that share corners with six equivalent TmCl6 octahedra and faces with eight equivalent NaCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–Cl bond lengths are 2.52 Å. Tm3+ is bonded to six equivalent Cl1- atoms to form TmCl6 octahedra that share corners with six equivalent LiCl6 octahedra and faces with eight equivalent NaCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tm–Cl bond lengths are 2.58 Å. Cl1- is bonded in a linear geometry to four equivalent Na1+, one Li1+, and one Tm3+ atom.},
doi = {10.17188/1682146},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}