Materials Data on Er2O3 by Materials Project
Abstract
Er2O3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing ErO6 octahedra. The corner-sharing octahedra tilt angles range from 54–56°. There are a spread of Er–O bond distances ranging from 2.24–2.32 Å. In the second Er3+ site, Er3+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing ErO6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Er–O bond lengths are 2.27 Å. O2- is bonded to four Er3+ atoms to form a mixture of distorted edge and corner-sharing OEr4 trigonal pyramids.
- Authors:
- Publication Date:
- Other Number(s):
- mp-679
- 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; Er2O3; Er-O
- OSTI Identifier:
- 1283440
- DOI:
- https://doi.org/10.17188/1283440
Citation Formats
The Materials Project. Materials Data on Er2O3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1283440.
The Materials Project. Materials Data on Er2O3 by Materials Project. United States. doi:https://doi.org/10.17188/1283440
The Materials Project. 2020.
"Materials Data on Er2O3 by Materials Project". United States. doi:https://doi.org/10.17188/1283440. https://www.osti.gov/servlets/purl/1283440. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1283440,
title = {Materials Data on Er2O3 by Materials Project},
author = {The Materials Project},
abstractNote = {Er2O3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing ErO6 octahedra. The corner-sharing octahedra tilt angles range from 54–56°. There are a spread of Er–O bond distances ranging from 2.24–2.32 Å. In the second Er3+ site, Er3+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing ErO6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Er–O bond lengths are 2.27 Å. O2- is bonded to four Er3+ atoms to form a mixture of distorted edge and corner-sharing OEr4 trigonal pyramids.},
doi = {10.17188/1283440},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}