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Title: Materials Data on Tl3PO4 by Materials Project

Abstract

Tl3PO4 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. Tl1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Tl–O bond distances ranging from 2.56–2.61 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.56 Å) and one longer (1.58 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Tl1+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted tetrahedral geometry to three equivalent Tl1+ and one P5+ atom.

Authors:
Publication Date:
Other Number(s):
mp-5709
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; Tl3PO4; O-P-Tl
OSTI Identifier:
1275992
DOI:
https://doi.org/10.17188/1275992

Citation Formats

The Materials Project. Materials Data on Tl3PO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275992.
The Materials Project. Materials Data on Tl3PO4 by Materials Project. United States. doi:https://doi.org/10.17188/1275992
The Materials Project. 2020. "Materials Data on Tl3PO4 by Materials Project". United States. doi:https://doi.org/10.17188/1275992. https://www.osti.gov/servlets/purl/1275992. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1275992,
title = {Materials Data on Tl3PO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Tl3PO4 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. Tl1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Tl–O bond distances ranging from 2.56–2.61 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.56 Å) and one longer (1.58 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Tl1+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted tetrahedral geometry to three equivalent Tl1+ and one P5+ atom.},
doi = {10.17188/1275992},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}