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Title: Materials Data on Na3Tl by Materials Project

Abstract

Na3Tl is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Na is bonded to eight equivalent Na and four equivalent Tl atoms to form distorted NaNa8Tl4 cuboctahedra that share corners with four equivalent TlNa12 cuboctahedra, corners with fourteen equivalent NaNa8Tl4 cuboctahedra, edges with six equivalent TlNa12 cuboctahedra, edges with twelve equivalent NaNa8Tl4 cuboctahedra, faces with four equivalent TlNa12 cuboctahedra, and faces with sixteen equivalent NaNa8Tl4 cuboctahedra. There are a spread of Na–Na bond distances ranging from 3.38–3.62 Å. There are two shorter (3.50 Å) and two longer (3.52 Å) Na–Tl bond lengths. Tl is bonded to twelve equivalent Na atoms to form TlNa12 cuboctahedra that share corners with six equivalent TlNa12 cuboctahedra, corners with twelve equivalent NaNa8Tl4 cuboctahedra, edges with eighteen equivalent NaNa8Tl4 cuboctahedra, faces with eight equivalent TlNa12 cuboctahedra, and faces with twelve equivalent NaNa8Tl4 cuboctahedra.

Publication Date:
Other Number(s):
mp-1186088
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Na3Tl; Na-Tl
OSTI Identifier:
1752597
DOI:
https://doi.org/10.17188/1752597

Citation Formats

The Materials Project. Materials Data on Na3Tl by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1752597.
The Materials Project. Materials Data on Na3Tl by Materials Project. United States. doi:https://doi.org/10.17188/1752597
The Materials Project. 2020. "Materials Data on Na3Tl by Materials Project". United States. doi:https://doi.org/10.17188/1752597. https://www.osti.gov/servlets/purl/1752597. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1752597,
title = {Materials Data on Na3Tl by Materials Project},
author = {The Materials Project},
abstractNote = {Na3Tl is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Na is bonded to eight equivalent Na and four equivalent Tl atoms to form distorted NaNa8Tl4 cuboctahedra that share corners with four equivalent TlNa12 cuboctahedra, corners with fourteen equivalent NaNa8Tl4 cuboctahedra, edges with six equivalent TlNa12 cuboctahedra, edges with twelve equivalent NaNa8Tl4 cuboctahedra, faces with four equivalent TlNa12 cuboctahedra, and faces with sixteen equivalent NaNa8Tl4 cuboctahedra. There are a spread of Na–Na bond distances ranging from 3.38–3.62 Å. There are two shorter (3.50 Å) and two longer (3.52 Å) Na–Tl bond lengths. Tl is bonded to twelve equivalent Na atoms to form TlNa12 cuboctahedra that share corners with six equivalent TlNa12 cuboctahedra, corners with twelve equivalent NaNa8Tl4 cuboctahedra, edges with eighteen equivalent NaNa8Tl4 cuboctahedra, faces with eight equivalent TlNa12 cuboctahedra, and faces with twelve equivalent NaNa8Tl4 cuboctahedra.},
doi = {10.17188/1752597},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}