Materials Data on Rb3TlO3 by Materials Project
Abstract
Rb3TlO3 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 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.88–3.30 Å. In the second Rb1+ site, Rb1+ is bonded to four O2- atoms to form distorted RbO4 trigonal pyramids that share corners with five equivalent TlO4 tetrahedra and an edgeedge with one RbO4 trigonal pyramid. There are a spread of Rb–O bond distances ranging from 2.77–3.08 Å. In the third Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.73–3.29 Å. Tl3+ is bonded to four O2- atoms to form TlO4 tetrahedra that share corners with five equivalent RbO4 trigonal pyramids and an edgeedge with one TlO4 tetrahedra. There are a spread of Tl–O bond distances ranging from 2.15–2.29 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four Rb1+ and one Tl3+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four Rb1+ andmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-28380
- 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; Rb3TlO3; O-Rb-Tl
- OSTI Identifier:
- 1202502
- DOI:
- https://doi.org/10.17188/1202502
Citation Formats
The Materials Project. Materials Data on Rb3TlO3 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1202502.
The Materials Project. Materials Data on Rb3TlO3 by Materials Project. United States. doi:https://doi.org/10.17188/1202502
The Materials Project. 2017.
"Materials Data on Rb3TlO3 by Materials Project". United States. doi:https://doi.org/10.17188/1202502. https://www.osti.gov/servlets/purl/1202502. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1202502,
title = {Materials Data on Rb3TlO3 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb3TlO3 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 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.88–3.30 Å. In the second Rb1+ site, Rb1+ is bonded to four O2- atoms to form distorted RbO4 trigonal pyramids that share corners with five equivalent TlO4 tetrahedra and an edgeedge with one RbO4 trigonal pyramid. There are a spread of Rb–O bond distances ranging from 2.77–3.08 Å. In the third Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.73–3.29 Å. Tl3+ is bonded to four O2- atoms to form TlO4 tetrahedra that share corners with five equivalent RbO4 trigonal pyramids and an edgeedge with one TlO4 tetrahedra. There are a spread of Tl–O bond distances ranging from 2.15–2.29 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four Rb1+ and one Tl3+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four Rb1+ and two equivalent Tl3+ atoms. In the third O2- site, O2- is bonded in a 7-coordinate geometry to six Rb1+ and one Tl3+ atom.},
doi = {10.17188/1202502},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed May 10 00:00:00 EDT 2017},
month = {Wed May 10 00:00:00 EDT 2017}
}