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Title: Materials Data on Sr2GdGaO5 by Materials Project

Abstract

Sr2GdGaO5 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a distorted q6 geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.84–2.88 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.41–2.74 Å. Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.27–2.72 Å. Ga3+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.85 Å) and two longer (1.88 Å) Ga–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to three Sr2+, two equivalent Gd3+, and one Ga3+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+, one Gd3+, and one Ga3+ atom. In the third O2- site, O2- is bonded to four Sr2+ and two equivalent Gd3+ atoms to form corner-sharing OSr4Gd2 octahedra. The corner-sharing octahedra tilt angles range frommore » 0–34°.« less

Authors:
Publication Date:
Other Number(s):
mp-1218806
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; Sr2GdGaO5; Ga-Gd-O-Sr
OSTI Identifier:
1692434
DOI:
https://doi.org/10.17188/1692434

Citation Formats

The Materials Project. Materials Data on Sr2GdGaO5 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1692434.
The Materials Project. Materials Data on Sr2GdGaO5 by Materials Project. United States. doi:https://doi.org/10.17188/1692434
The Materials Project. 2019. "Materials Data on Sr2GdGaO5 by Materials Project". United States. doi:https://doi.org/10.17188/1692434. https://www.osti.gov/servlets/purl/1692434. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1692434,
title = {Materials Data on Sr2GdGaO5 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2GdGaO5 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a distorted q6 geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.84–2.88 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.41–2.74 Å. Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.27–2.72 Å. Ga3+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.85 Å) and two longer (1.88 Å) Ga–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to three Sr2+, two equivalent Gd3+, and one Ga3+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+, one Gd3+, and one Ga3+ atom. In the third O2- site, O2- is bonded to four Sr2+ and two equivalent Gd3+ atoms to form corner-sharing OSr4Gd2 octahedra. The corner-sharing octahedra tilt angles range from 0–34°.},
doi = {10.17188/1692434},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}