U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NaTl by Materials Project
Abstract
NaTl crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Na is bonded in a 2-coordinate geometry to three equivalent Na and eight Tl atoms. There are two shorter (3.45 Å) and one longer (3.70 Å) Na–Na bond lengths. There are a spread of Na–Tl bond distances ranging from 3.19–3.70 Å. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded to eight equivalent Na and four Tl atoms to form a mixture of face, edge, and corner-sharing TlNa8Tl4 cuboctahedra. There are two shorter (3.04 Å) and two longer (3.40 Å) Tl–Tl bond lengths. In the second Tl site, Tl is bonded in a 10-coordinate geometry to eight equivalent Na and two equivalent Tl atoms.
- Publication Date:
- Other Number(s):
- mp-1078955
- 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; Na-Tl; NaTl; crystal structure
- OSTI Identifier:
- 1700411
- DOI:
- https://doi.org/10.17188/1700411
Citation Formats
Materials Data on NaTl by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1700411.
Materials Data on NaTl by Materials Project. United States. doi:https://doi.org/10.17188/1700411
2020.
"Materials Data on NaTl by Materials Project". United States. doi:https://doi.org/10.17188/1700411. https://www.osti.gov/servlets/purl/1700411. Pub date:Sun Apr 26 00:00:00 EDT 2020
@article{osti_1700411,
title = {Materials Data on NaTl by Materials Project},
abstractNote = {NaTl crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Na is bonded in a 2-coordinate geometry to three equivalent Na and eight Tl atoms. There are two shorter (3.45 Å) and one longer (3.70 Å) Na–Na bond lengths. There are a spread of Na–Tl bond distances ranging from 3.19–3.70 Å. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded to eight equivalent Na and four Tl atoms to form a mixture of face, edge, and corner-sharing TlNa8Tl4 cuboctahedra. There are two shorter (3.04 Å) and two longer (3.40 Å) Tl–Tl bond lengths. In the second Tl site, Tl is bonded in a 10-coordinate geometry to eight equivalent Na and two equivalent Tl atoms.},
doi = {10.17188/1700411},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}
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