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Title: Materials Data on Er3Al5O12 by Materials Project

Abstract

Er3Al5O12 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Er3+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.31 Å) and four longer (2.44 Å) Er–O bond lengths. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four equivalent O2- atoms to form corner-sharing AlO4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. All Al–O bond lengths are 1.78 Å. In the second Al3+ site, Al3+ is bonded to six equivalent O2- atoms to form corner-sharing AlO6 octahedra. All Al–O bond lengths are 1.94 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Er3+ and two Al3+ atoms.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1206670
Report Number(s):
mp-3384
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; Er3Al5O12; Al-Er-O

Citation Formats

The Materials Project. Materials Data on Er3Al5O12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206670.
The Materials Project. Materials Data on Er3Al5O12 by Materials Project. United States. https://doi.org/10.17188/1206670
The Materials Project. 2020. "Materials Data on Er3Al5O12 by Materials Project". United States. https://doi.org/10.17188/1206670. https://www.osti.gov/servlets/purl/1206670.
@article{osti_1206670,
title = {Materials Data on Er3Al5O12 by Materials Project},
author = {The Materials Project},
abstractNote = {Er3Al5O12 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Er3+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.31 Å) and four longer (2.44 Å) Er–O bond lengths. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four equivalent O2- atoms to form corner-sharing AlO4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. All Al–O bond lengths are 1.78 Å. In the second Al3+ site, Al3+ is bonded to six equivalent O2- atoms to form corner-sharing AlO6 octahedra. All Al–O bond lengths are 1.94 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Er3+ and two Al3+ atoms.},
doi = {10.17188/1206670},
url = {https://www.osti.gov/biblio/1206670}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}