DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on ScTlO2 by Materials Project

Abstract

ScTlO2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc3+ is bonded to six equivalent O2- atoms to form edge-sharing ScO6 octahedra. All Sc–O bond lengths are 2.16 Å. Tl1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Tl–O bond lengths are 2.88 Å. O2- is bonded in a 6-coordinate geometry to three equivalent Sc3+ and three equivalent Tl1+ atoms.

Publication Date:
Other Number(s):
mp-754384
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; ScTlO2; O-Sc-Tl
OSTI Identifier:
1289407
DOI:
https://doi.org/10.17188/1289407

Citation Formats

The Materials Project. Materials Data on ScTlO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289407.
The Materials Project. Materials Data on ScTlO2 by Materials Project. United States. doi:https://doi.org/10.17188/1289407
The Materials Project. 2020. "Materials Data on ScTlO2 by Materials Project". United States. doi:https://doi.org/10.17188/1289407. https://www.osti.gov/servlets/purl/1289407. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1289407,
title = {Materials Data on ScTlO2 by Materials Project},
author = {The Materials Project},
abstractNote = {ScTlO2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc3+ is bonded to six equivalent O2- atoms to form edge-sharing ScO6 octahedra. All Sc–O bond lengths are 2.16 Å. Tl1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Tl–O bond lengths are 2.88 Å. O2- is bonded in a 6-coordinate geometry to three equivalent Sc3+ and three equivalent Tl1+ atoms.},
doi = {10.17188/1289407},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}