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Title: Materials Data on Er2Tc2O7 by Materials Project

Abstract

Er2Tc2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Er3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.22 Å) and six longer (2.45 Å) Er–O bond lengths. Tc4+ is bonded to six equivalent O2- atoms to form corner-sharing TcO6 octahedra. The corner-sharing octahedral tilt angles are 54°. All Tc–O bond lengths are 2.04 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Er3+ atoms to form OEr4 tetrahedra that share corners with sixteen OEr4 tetrahedra and edges with six equivalent OEr2Tc2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Er3+ and two equivalent Tc4+ atoms to form a mixture of distorted corner and edge-sharing OEr2Tc2 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-557806
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; Er2Tc2O7; Er-O-Tc
OSTI Identifier:
1270022
DOI:
https://doi.org/10.17188/1270022

Citation Formats

The Materials Project. Materials Data on Er2Tc2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270022.
The Materials Project. Materials Data on Er2Tc2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1270022
The Materials Project. 2020. "Materials Data on Er2Tc2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1270022. https://www.osti.gov/servlets/purl/1270022. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1270022,
title = {Materials Data on Er2Tc2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Er2Tc2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Er3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.22 Å) and six longer (2.45 Å) Er–O bond lengths. Tc4+ is bonded to six equivalent O2- atoms to form corner-sharing TcO6 octahedra. The corner-sharing octahedral tilt angles are 54°. All Tc–O bond lengths are 2.04 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Er3+ atoms to form OEr4 tetrahedra that share corners with sixteen OEr4 tetrahedra and edges with six equivalent OEr2Tc2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Er3+ and two equivalent Tc4+ atoms to form a mixture of distorted corner and edge-sharing OEr2Tc2 tetrahedra.},
doi = {10.17188/1270022},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}