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Title: Materials Data on NaTl2InF6 by Materials Project

Abstract

NaTl2InF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent InF6 octahedra and faces with eight equivalent TlF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.30 Å. Tl1+ is bonded to twelve equivalent F1- atoms to form TlF12 cuboctahedra that share corners with twelve equivalent TlF12 cuboctahedra, faces with six equivalent TlF12 cuboctahedra, faces with four equivalent NaF6 octahedra, and faces with four equivalent InF6 octahedra. All Tl–F bond lengths are 3.12 Å. In3+ is bonded to six equivalent F1- atoms to form InF6 octahedra that share corners with six equivalent NaF6 octahedra and faces with eight equivalent TlF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–F bond lengths are 2.11 Å. F1- is bonded in a distorted linear geometry to one Na1+, four equivalent Tl1+, and one In3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-989533
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; NaTl2InF6; F-In-Na-Tl
OSTI Identifier:
1316832
DOI:
https://doi.org/10.17188/1316832

Citation Formats

The Materials Project. Materials Data on NaTl2InF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316832.
The Materials Project. Materials Data on NaTl2InF6 by Materials Project. United States. doi:https://doi.org/10.17188/1316832
The Materials Project. 2020. "Materials Data on NaTl2InF6 by Materials Project". United States. doi:https://doi.org/10.17188/1316832. https://www.osti.gov/servlets/purl/1316832. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1316832,
title = {Materials Data on NaTl2InF6 by Materials Project},
author = {The Materials Project},
abstractNote = {NaTl2InF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent InF6 octahedra and faces with eight equivalent TlF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.30 Å. Tl1+ is bonded to twelve equivalent F1- atoms to form TlF12 cuboctahedra that share corners with twelve equivalent TlF12 cuboctahedra, faces with six equivalent TlF12 cuboctahedra, faces with four equivalent NaF6 octahedra, and faces with four equivalent InF6 octahedra. All Tl–F bond lengths are 3.12 Å. In3+ is bonded to six equivalent F1- atoms to form InF6 octahedra that share corners with six equivalent NaF6 octahedra and faces with eight equivalent TlF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–F bond lengths are 2.11 Å. F1- is bonded in a distorted linear geometry to one Na1+, four equivalent Tl1+, and one In3+ atom.},
doi = {10.17188/1316832},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}