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Title: Materials Data on EuTiAgO4 by Materials Project

Abstract

AgEuTiO4 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Eu3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.29–2.81 Å. Ti4+ is bonded in a 5-coordinate geometry to five O2- atoms. There is one shorter (1.80 Å) and four longer (1.93 Å) Ti–O bond length. Ag1+ is bonded to five equivalent O2- atoms to form a mixture of distorted edge and corner-sharing AgO5 square pyramids. There are a spread of Ag–O bond distances ranging from 2.37–2.74 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Eu3+ and two equivalent Ti4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Eu3+ and two equivalent Ti4+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to five equivalent Eu3+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Ti4+ and five equivalent Ag1+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-505238
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; EuTiAgO4; Ag-Eu-O-Ti
OSTI Identifier:
1262392
DOI:
10.17188/1262392

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on EuTiAgO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262392.
Persson, Kristin, & Project, Materials. Materials Data on EuTiAgO4 by Materials Project. United States. doi:10.17188/1262392.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on EuTiAgO4 by Materials Project". United States. doi:10.17188/1262392. https://www.osti.gov/servlets/purl/1262392. Pub date:Wed Jun 24 00:00:00 EDT 2020
@article{osti_1262392,
title = {Materials Data on EuTiAgO4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {AgEuTiO4 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Eu3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.29–2.81 Å. Ti4+ is bonded in a 5-coordinate geometry to five O2- atoms. There is one shorter (1.80 Å) and four longer (1.93 Å) Ti–O bond length. Ag1+ is bonded to five equivalent O2- atoms to form a mixture of distorted edge and corner-sharing AgO5 square pyramids. There are a spread of Ag–O bond distances ranging from 2.37–2.74 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Eu3+ and two equivalent Ti4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Eu3+ and two equivalent Ti4+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to five equivalent Eu3+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Ti4+ and five equivalent Ag1+ atoms.},
doi = {10.17188/1262392},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}

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