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Title: Materials Data on Er2Al3Si2 by Materials Project

Abstract

Er2Al3Si2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to six Al and five equivalent Si atoms. There are a spread of Er–Al bond distances ranging from 3.01–3.23 Å. There are a spread of Er–Si bond distances ranging from 2.86–2.99 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted water-like geometry to four equivalent Er and two equivalent Si atoms. Both Al–Si bond lengths are 2.60 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to four equivalent Er and two equivalent Si atoms. Both Al–Si bond lengths are 2.72 Å. Si is bonded in a 9-coordinate geometry to five equivalent Er, three Al, and one Si atom. The Si–Si bond length is 2.38 Å.

Publication Date:
Other Number(s):
mp-12004
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; Er2Al3Si2; Al-Er-Si
OSTI Identifier:
1188501
DOI:
https://doi.org/10.17188/1188501

Citation Formats

The Materials Project. Materials Data on Er2Al3Si2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1188501.
The Materials Project. Materials Data on Er2Al3Si2 by Materials Project. United States. doi:https://doi.org/10.17188/1188501
The Materials Project. 2020. "Materials Data on Er2Al3Si2 by Materials Project". United States. doi:https://doi.org/10.17188/1188501. https://www.osti.gov/servlets/purl/1188501. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1188501,
title = {Materials Data on Er2Al3Si2 by Materials Project},
author = {The Materials Project},
abstractNote = {Er2Al3Si2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to six Al and five equivalent Si atoms. There are a spread of Er–Al bond distances ranging from 3.01–3.23 Å. There are a spread of Er–Si bond distances ranging from 2.86–2.99 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted water-like geometry to four equivalent Er and two equivalent Si atoms. Both Al–Si bond lengths are 2.60 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to four equivalent Er and two equivalent Si atoms. Both Al–Si bond lengths are 2.72 Å. Si is bonded in a 9-coordinate geometry to five equivalent Er, three Al, and one Si atom. The Si–Si bond length is 2.38 Å.},
doi = {10.17188/1188501},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}