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

Title: Materials Data on ErTa7O19 by Materials Project

Abstract

ErTa7O19 crystallizes in the hexagonal P-6c2 space group. The structure is three-dimensional. Er3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are six shorter (2.39 Å) and two longer (2.62 Å) Er–O bond lengths. There are two inequivalent Ta5+ sites. In the first Ta5+ site, Ta5+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ta–O bond distances ranging from 1.93–2.45 Å. In the second Ta5+ site, Ta5+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Ta–O bond lengths are 2.01 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Er3+ and two Ta5+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Ta5+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to three equivalent Ta5+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ta5+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Er3+ and three equivalent Ta5+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-773103
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; ErTa7O19; Er-O-Ta
OSTI Identifier:
1301594
DOI:
10.17188/1301594

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on ErTa7O19 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1301594.
Persson, Kristin, & Project, Materials. Materials Data on ErTa7O19 by Materials Project. United States. doi:10.17188/1301594.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on ErTa7O19 by Materials Project". United States. doi:10.17188/1301594. https://www.osti.gov/servlets/purl/1301594. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1301594,
title = {Materials Data on ErTa7O19 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {ErTa7O19 crystallizes in the hexagonal P-6c2 space group. The structure is three-dimensional. Er3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are six shorter (2.39 Å) and two longer (2.62 Å) Er–O bond lengths. There are two inequivalent Ta5+ sites. In the first Ta5+ site, Ta5+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ta–O bond distances ranging from 1.93–2.45 Å. In the second Ta5+ site, Ta5+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Ta–O bond lengths are 2.01 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Er3+ and two Ta5+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Ta5+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to three equivalent Ta5+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ta5+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Er3+ and three equivalent Ta5+ atoms.},
doi = {10.17188/1301594},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

Dataset:

Save / Share: