Materials Data on BaTl4 by Materials Project
Abstract
BaTl4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba is bonded in a 6-coordinate geometry to sixteen Tl atoms. There are a spread of Ba–Tl bond distances ranging from 3.69–4.24 Å. There are four inequivalent Tl sites. In the first Tl site, Tl is bonded in a 10-coordinate geometry to five equivalent Ba and five Tl atoms. There are a spread of Tl–Tl bond distances ranging from 3.19–3.32 Å. In the second Tl site, Tl is bonded in a 6-coordinate geometry to three equivalent Ba and four Tl atoms. There are a spread of Tl–Tl bond distances ranging from 3.17–3.56 Å. In the third Tl site, Tl is bonded in a 10-coordinate geometry to four equivalent Ba and six Tl atoms. Both Tl–Tl bond lengths are 3.52 Å. In the fourth Tl site, Tl is bonded in a 11-coordinate geometry to four equivalent Ba and seven Tl atoms. The Tl–Tl bond length is 3.31 Å.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1091391
- 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; BaTl4; Ba-Tl
- OSTI Identifier:
- 1748875
- DOI:
- https://doi.org/10.17188/1748875
Citation Formats
The Materials Project. Materials Data on BaTl4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1748875.
The Materials Project. Materials Data on BaTl4 by Materials Project. United States. doi:https://doi.org/10.17188/1748875
The Materials Project. 2020.
"Materials Data on BaTl4 by Materials Project". United States. doi:https://doi.org/10.17188/1748875. https://www.osti.gov/servlets/purl/1748875. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1748875,
title = {Materials Data on BaTl4 by Materials Project},
author = {The Materials Project},
abstractNote = {BaTl4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba is bonded in a 6-coordinate geometry to sixteen Tl atoms. There are a spread of Ba–Tl bond distances ranging from 3.69–4.24 Å. There are four inequivalent Tl sites. In the first Tl site, Tl is bonded in a 10-coordinate geometry to five equivalent Ba and five Tl atoms. There are a spread of Tl–Tl bond distances ranging from 3.19–3.32 Å. In the second Tl site, Tl is bonded in a 6-coordinate geometry to three equivalent Ba and four Tl atoms. There are a spread of Tl–Tl bond distances ranging from 3.17–3.56 Å. In the third Tl site, Tl is bonded in a 10-coordinate geometry to four equivalent Ba and six Tl atoms. Both Tl–Tl bond lengths are 3.52 Å. In the fourth Tl site, Tl is bonded in a 11-coordinate geometry to four equivalent Ba and seven Tl atoms. The Tl–Tl bond length is 3.31 Å.},
doi = {10.17188/1748875},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}