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Title: Materials Data on Na2Tl by Materials Project

Abstract

Na2Tl crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. there are five inequivalent Na sites. In the first Na site, Na is bonded in a 4-coordinate geometry to two equivalent Na and four Tl atoms. Both Na–Na bond lengths are 3.46 Å. There are two shorter (3.35 Å) and two longer (3.42 Å) Na–Tl bond lengths. In the second Na site, Na is bonded in a 12-coordinate geometry to six Na and six Tl atoms. There are a spread of Na–Na bond distances ranging from 3.35–3.65 Å. There are a spread of Na–Tl bond distances ranging from 3.38–3.65 Å. In the third Na site, Na is bonded in a 1-coordinate geometry to eight Na and five Tl atoms. There are a spread of Na–Na bond distances ranging from 3.58–3.95 Å. There are a spread of Na–Tl bond distances ranging from 3.44–3.76 Å. In the fourth Na site, Na is bonded in a 4-coordinate geometry to three Na and four Tl atoms. There are a spread of Na–Tl bond distances ranging from 3.20–3.32 Å. In the fifth Na site, Na is bonded in a 3-coordinate geometry to four Na and three Tl atoms. There are a spread ofmore » Na–Tl bond distances ranging from 3.34–3.50 Å. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded in a 12-coordinate geometry to nine Na and three Tl atoms. There are two shorter (3.29 Å) and one longer (3.40 Å) Tl–Tl bond lengths. In the second Tl site, Tl is bonded in a 11-coordinate geometry to eight Na and three Tl atoms. The Tl–Tl bond length is 3.28 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-30795
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; Na2Tl; Na-Tl
OSTI Identifier:
1205156
DOI:
https://doi.org/10.17188/1205156

Citation Formats

The Materials Project. Materials Data on Na2Tl by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205156.
The Materials Project. Materials Data on Na2Tl by Materials Project. United States. doi:https://doi.org/10.17188/1205156
The Materials Project. 2020. "Materials Data on Na2Tl by Materials Project". United States. doi:https://doi.org/10.17188/1205156. https://www.osti.gov/servlets/purl/1205156. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1205156,
title = {Materials Data on Na2Tl by Materials Project},
author = {The Materials Project},
abstractNote = {Na2Tl crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. there are five inequivalent Na sites. In the first Na site, Na is bonded in a 4-coordinate geometry to two equivalent Na and four Tl atoms. Both Na–Na bond lengths are 3.46 Å. There are two shorter (3.35 Å) and two longer (3.42 Å) Na–Tl bond lengths. In the second Na site, Na is bonded in a 12-coordinate geometry to six Na and six Tl atoms. There are a spread of Na–Na bond distances ranging from 3.35–3.65 Å. There are a spread of Na–Tl bond distances ranging from 3.38–3.65 Å. In the third Na site, Na is bonded in a 1-coordinate geometry to eight Na and five Tl atoms. There are a spread of Na–Na bond distances ranging from 3.58–3.95 Å. There are a spread of Na–Tl bond distances ranging from 3.44–3.76 Å. In the fourth Na site, Na is bonded in a 4-coordinate geometry to three Na and four Tl atoms. There are a spread of Na–Tl bond distances ranging from 3.20–3.32 Å. In the fifth Na site, Na is bonded in a 3-coordinate geometry to four Na and three Tl atoms. There are a spread of Na–Tl bond distances ranging from 3.34–3.50 Å. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded in a 12-coordinate geometry to nine Na and three Tl atoms. There are two shorter (3.29 Å) and one longer (3.40 Å) Tl–Tl bond lengths. In the second Tl site, Tl is bonded in a 11-coordinate geometry to eight Na and three Tl atoms. The Tl–Tl bond length is 3.28 Å.},
doi = {10.17188/1205156},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}