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Title: Materials Data on Er2SiSeO4 by Materials Project

Abstract

Er2SiSeO4 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 6-coordinate geometry to two equivalent Se2- and six O2- atoms. Both Er–Se bond lengths are 3.02 Å. There are a spread of Er–O bond distances ranging from 2.32–2.42 Å. In the second Er3+ site, Er3+ is bonded in a 8-coordinate geometry to two equivalent Se2- and six O2- atoms. There are one shorter (2.85 Å) and one longer (2.94 Å) Er–Se bond lengths. There are a spread of Er–O bond distances ranging from 2.37–2.53 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.64 Å) and two longer (1.65 Å) Si–O bond length. Se2- is bonded in a 4-coordinate geometry to four Er3+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Er3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Er3+ and one Si4+ atom.

Authors:
Publication Date:
Other Number(s):
mp-17633
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; Er2SiSeO4; Er-O-Se-Si
OSTI Identifier:
1192599
DOI:
https://doi.org/10.17188/1192599

Citation Formats

The Materials Project. Materials Data on Er2SiSeO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192599.
The Materials Project. Materials Data on Er2SiSeO4 by Materials Project. United States. doi:https://doi.org/10.17188/1192599
The Materials Project. 2020. "Materials Data on Er2SiSeO4 by Materials Project". United States. doi:https://doi.org/10.17188/1192599. https://www.osti.gov/servlets/purl/1192599. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1192599,
title = {Materials Data on Er2SiSeO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Er2SiSeO4 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 6-coordinate geometry to two equivalent Se2- and six O2- atoms. Both Er–Se bond lengths are 3.02 Å. There are a spread of Er–O bond distances ranging from 2.32–2.42 Å. In the second Er3+ site, Er3+ is bonded in a 8-coordinate geometry to two equivalent Se2- and six O2- atoms. There are one shorter (2.85 Å) and one longer (2.94 Å) Er–Se bond lengths. There are a spread of Er–O bond distances ranging from 2.37–2.53 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.64 Å) and two longer (1.65 Å) Si–O bond length. Se2- is bonded in a 4-coordinate geometry to four Er3+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Er3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Er3+ and one Si4+ atom.},
doi = {10.17188/1192599},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}