Materials Data on Rb3TlCl6 by Materials Project
Abstract
Rb3TlCl6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.22–3.83 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.33–3.70 Å. In the third Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.41–3.87 Å. There are two inequivalent Tl3+ sites. In the first Tl3+ site, Tl3+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 2.59–2.70 Å. In the second Tl3+ site, Tl3+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 2.62–2.67 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four Rb1+ and one Tl3+ atom. In the second Cl1- site, Cl1- is bonded in a 6-coordinatemore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-29384
- 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; Rb3TlCl6; Cl-Rb-Tl
- OSTI Identifier:
- 1203730
- DOI:
- https://doi.org/10.17188/1203730
Citation Formats
The Materials Project. Materials Data on Rb3TlCl6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1203730.
The Materials Project. Materials Data on Rb3TlCl6 by Materials Project. United States. doi:https://doi.org/10.17188/1203730
The Materials Project. 2020.
"Materials Data on Rb3TlCl6 by Materials Project". United States. doi:https://doi.org/10.17188/1203730. https://www.osti.gov/servlets/purl/1203730. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1203730,
title = {Materials Data on Rb3TlCl6 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb3TlCl6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.22–3.83 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.33–3.70 Å. In the third Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.41–3.87 Å. There are two inequivalent Tl3+ sites. In the first Tl3+ site, Tl3+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 2.59–2.70 Å. In the second Tl3+ site, Tl3+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 2.62–2.67 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four Rb1+ and one Tl3+ atom. In the second Cl1- site, Cl1- is bonded in a 6-coordinate geometry to five Rb1+ and one Tl3+ atom. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four Rb1+ and one Tl3+ atom. In the fourth Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four Rb1+ and one Tl3+ atom. In the fifth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four Rb1+ and one Tl3+ atom. In the sixth Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four Rb1+ and one Tl3+ atom.},
doi = {10.17188/1203730},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}