Materials Data on TlO2 by Materials Project
Abstract
TlO2 is Hydrophilite-like structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are two inequivalent Tl sites. In the first Tl site, Tl is bonded to six O atoms to form edge-sharing TlO6 octahedra. There are four shorter (2.24 Å) and two longer (2.32 Å) Tl–O bond lengths. In the second Tl site, Tl is bonded to six O atoms to form a mixture of edge and corner-sharing TlO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are a spread of Tl–O bond distances ranging from 2.21–2.36 Å. There are three inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to three equivalent Tl atoms. In the second O site, O is bonded in a trigonal non-coplanar geometry to three Tl atoms. In the third O site, O is bonded in a trigonal non-coplanar geometry to three Tl atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1188665
- 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; TlO2; O-Tl
- OSTI Identifier:
- 1662367
- DOI:
- https://doi.org/10.17188/1662367
Citation Formats
The Materials Project. Materials Data on TlO2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1662367.
The Materials Project. Materials Data on TlO2 by Materials Project. United States. doi:https://doi.org/10.17188/1662367
The Materials Project. 2019.
"Materials Data on TlO2 by Materials Project". United States. doi:https://doi.org/10.17188/1662367. https://www.osti.gov/servlets/purl/1662367. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1662367,
title = {Materials Data on TlO2 by Materials Project},
author = {The Materials Project},
abstractNote = {TlO2 is Hydrophilite-like structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are two inequivalent Tl sites. In the first Tl site, Tl is bonded to six O atoms to form edge-sharing TlO6 octahedra. There are four shorter (2.24 Å) and two longer (2.32 Å) Tl–O bond lengths. In the second Tl site, Tl is bonded to six O atoms to form a mixture of edge and corner-sharing TlO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are a spread of Tl–O bond distances ranging from 2.21–2.36 Å. There are three inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to three equivalent Tl atoms. In the second O site, O is bonded in a trigonal non-coplanar geometry to three Tl atoms. In the third O site, O is bonded in a trigonal non-coplanar geometry to three Tl atoms.},
doi = {10.17188/1662367},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}