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Title: Materials Data on Er2GeO5 by Materials Project

Abstract

Er2GeO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Er–O bond distances ranging from 2.25–2.78 Å. In the second Er3+ site, Er3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Er–O bond distances ranging from 2.23–2.54 Å. Ge4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Ge–O bond distances ranging from 1.73–1.82 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Er3+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Er3+ and one Ge4+ atom. In the third O2- site, O2- is bonded to three Er3+ and one Ge4+ atom to form distorted OEr3Ge tetrahedra that share corners with three OEr3Ge tetrahedra and edges with two equivalent OEr4 tetrahedra. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Er3+ and one Ge4+ atom. In the fifthmore » O2- site, O2- is bonded to four Er3+ atoms to form OEr4 tetrahedra that share corners with five OEr3Ge tetrahedra and edges with three OEr4 tetrahedra.« less

Publication Date:
Other Number(s):
mp-773910
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; Er2GeO5; Er-Ge-O
OSTI Identifier:
1302209
DOI:
10.17188/1302209

Citation Formats

The Materials Project. Materials Data on Er2GeO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1302209.
The Materials Project. Materials Data on Er2GeO5 by Materials Project. United States. doi:10.17188/1302209.
The Materials Project. 2020. "Materials Data on Er2GeO5 by Materials Project". United States. doi:10.17188/1302209. https://www.osti.gov/servlets/purl/1302209. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1302209,
title = {Materials Data on Er2GeO5 by Materials Project},
author = {The Materials Project},
abstractNote = {Er2GeO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Er–O bond distances ranging from 2.25–2.78 Å. In the second Er3+ site, Er3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Er–O bond distances ranging from 2.23–2.54 Å. Ge4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Ge–O bond distances ranging from 1.73–1.82 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Er3+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Er3+ and one Ge4+ atom. In the third O2- site, O2- is bonded to three Er3+ and one Ge4+ atom to form distorted OEr3Ge tetrahedra that share corners with three OEr3Ge tetrahedra and edges with two equivalent OEr4 tetrahedra. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Er3+ and one Ge4+ atom. In the fifth O2- site, O2- is bonded to four Er3+ atoms to form OEr4 tetrahedra that share corners with five OEr3Ge tetrahedra and edges with three OEr4 tetrahedra.},
doi = {10.17188/1302209},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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