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Title: Materials Data on SrTl2(PO3)4 by Materials Project

Abstract

SrTl2(PO3)4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.61 Å) and four longer (2.72 Å) Sr–O bond lengths. Tl1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Tl–O bond distances ranging from 2.91–3.43 Å. P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.63 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Tl1+ and two equivalent P5+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Sr2+, two equivalent Tl1+, and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Sr2+, two equivalent Tl1+, and one P5+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1208595
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; SrTl2(PO3)4; O-P-Sr-Tl
OSTI Identifier:
1695203
DOI:
https://doi.org/10.17188/1695203

Citation Formats

The Materials Project. Materials Data on SrTl2(PO3)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1695203.
The Materials Project. Materials Data on SrTl2(PO3)4 by Materials Project. United States. doi:https://doi.org/10.17188/1695203
The Materials Project. 2020. "Materials Data on SrTl2(PO3)4 by Materials Project". United States. doi:https://doi.org/10.17188/1695203. https://www.osti.gov/servlets/purl/1695203. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1695203,
title = {Materials Data on SrTl2(PO3)4 by Materials Project},
author = {The Materials Project},
abstractNote = {SrTl2(PO3)4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.61 Å) and four longer (2.72 Å) Sr–O bond lengths. Tl1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Tl–O bond distances ranging from 2.91–3.43 Å. P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.63 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Tl1+ and two equivalent P5+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Sr2+, two equivalent Tl1+, and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Sr2+, two equivalent Tl1+, and one P5+ atom.},
doi = {10.17188/1695203},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}