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Title: Materials Data on SrEr2O4 by Materials Project

Abstract

SrEr2O4 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. Sr2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sr–O bond distances ranging from 2.32–2.57 Å. There are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to five O2- atoms to form a mixture of distorted corner and edge-sharing ErO5 square pyramids. There are a spread of Er–O bond distances ranging from 2.10–2.35 Å. In the second Er3+ site, Er3+ is bonded to five O2- atoms to form a mixture of distorted corner and edge-sharing ErO5 square pyramids. There are a spread of Er–O bond distances ranging from 2.14–2.32 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to one Sr2+ and three Er3+ atoms to form corner-sharing OSrEr3 tetrahedra. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three Er3+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Sr2+ and two equivalent Er3+ atoms. In the fourth O2- site, O2- is bonded in a square co-planar geometry to two equivalent Sr2+ and twomore » equivalent Er3+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1094076
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; SrEr2O4; Er-O-Sr
OSTI Identifier:
1682183
DOI:
https://doi.org/10.17188/1682183

Citation Formats

The Materials Project. Materials Data on SrEr2O4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1682183.
The Materials Project. Materials Data on SrEr2O4 by Materials Project. United States. doi:https://doi.org/10.17188/1682183
The Materials Project. 2020. "Materials Data on SrEr2O4 by Materials Project". United States. doi:https://doi.org/10.17188/1682183. https://www.osti.gov/servlets/purl/1682183. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1682183,
title = {Materials Data on SrEr2O4 by Materials Project},
author = {The Materials Project},
abstractNote = {SrEr2O4 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. Sr2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sr–O bond distances ranging from 2.32–2.57 Å. There are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to five O2- atoms to form a mixture of distorted corner and edge-sharing ErO5 square pyramids. There are a spread of Er–O bond distances ranging from 2.10–2.35 Å. In the second Er3+ site, Er3+ is bonded to five O2- atoms to form a mixture of distorted corner and edge-sharing ErO5 square pyramids. There are a spread of Er–O bond distances ranging from 2.14–2.32 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to one Sr2+ and three Er3+ atoms to form corner-sharing OSrEr3 tetrahedra. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three Er3+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Sr2+ and two equivalent Er3+ atoms. In the fourth O2- site, O2- is bonded in a square co-planar geometry to two equivalent Sr2+ and two equivalent Er3+ atoms.},
doi = {10.17188/1682183},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}