DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Sm4Au2O9 by Materials Project

Abstract

Sm4Au2O9 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded to seven O2- atoms to form a mixture of distorted edge and corner-sharing SmO7 pentagonal bipyramids. There are a spread of Sm–O bond distances ranging from 2.33–2.54 Å. In the second Sm3+ site, Sm3+ is bonded to seven O2- atoms to form a mixture of distorted edge and corner-sharing SmO7 pentagonal bipyramids. There are a spread of Sm–O bond distances ranging from 2.33–2.60 Å. Au3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Au–O bond distances ranging from 2.01–2.07 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to three Sm3+ and one Au3+ atom to form a mixture of distorted edge and corner-sharing OSm3Au trigonal pyramids. In the second O2- site, O2- is bonded to three Sm3+ and one Au3+ atom to form distorted OSm3Au tetrahedra that share corners with three OSm3Au tetrahedra, corners with ten OSm3Au trigonal pyramids, an edgeedge with one OSm4 tetrahedra, and edges with three OSm3Au trigonal pyramids. In the third O2- site, O2- ismore » bonded to three Sm3+ and one Au3+ atom to form distorted OSm3Au trigonal pyramids that share corners with six OSm4 tetrahedra, corners with nine OSm3Au trigonal pyramids, an edgeedge with one OSm3Au tetrahedra, and edges with two OSm3Au trigonal pyramids. In the fourth O2- site, O2- is bonded to four Sm3+ atoms to form a mixture of edge and corner-sharing OSm4 tetrahedra. In the fifth O2- site, O2- is bonded to three Sm3+ and one Au3+ atom to form distorted OSm3Au trigonal pyramids that share corners with four OSm4 tetrahedra, corners with nine OSm3Au trigonal pyramids, edges with two OSm4 tetrahedra, and edges with two OSm3Au trigonal pyramids.« less

Authors:
Publication Date:
Other Number(s):
mp-16160
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; Sm4Au2O9; Au-O-Sm
OSTI Identifier:
1191614
DOI:
https://doi.org/10.17188/1191614

Citation Formats

The Materials Project. Materials Data on Sm4Au2O9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1191614.
The Materials Project. Materials Data on Sm4Au2O9 by Materials Project. United States. doi:https://doi.org/10.17188/1191614
The Materials Project. 2020. "Materials Data on Sm4Au2O9 by Materials Project". United States. doi:https://doi.org/10.17188/1191614. https://www.osti.gov/servlets/purl/1191614. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1191614,
title = {Materials Data on Sm4Au2O9 by Materials Project},
author = {The Materials Project},
abstractNote = {Sm4Au2O9 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded to seven O2- atoms to form a mixture of distorted edge and corner-sharing SmO7 pentagonal bipyramids. There are a spread of Sm–O bond distances ranging from 2.33–2.54 Å. In the second Sm3+ site, Sm3+ is bonded to seven O2- atoms to form a mixture of distorted edge and corner-sharing SmO7 pentagonal bipyramids. There are a spread of Sm–O bond distances ranging from 2.33–2.60 Å. Au3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Au–O bond distances ranging from 2.01–2.07 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to three Sm3+ and one Au3+ atom to form a mixture of distorted edge and corner-sharing OSm3Au trigonal pyramids. In the second O2- site, O2- is bonded to three Sm3+ and one Au3+ atom to form distorted OSm3Au tetrahedra that share corners with three OSm3Au tetrahedra, corners with ten OSm3Au trigonal pyramids, an edgeedge with one OSm4 tetrahedra, and edges with three OSm3Au trigonal pyramids. In the third O2- site, O2- is bonded to three Sm3+ and one Au3+ atom to form distorted OSm3Au trigonal pyramids that share corners with six OSm4 tetrahedra, corners with nine OSm3Au trigonal pyramids, an edgeedge with one OSm3Au tetrahedra, and edges with two OSm3Au trigonal pyramids. In the fourth O2- site, O2- is bonded to four Sm3+ atoms to form a mixture of edge and corner-sharing OSm4 tetrahedra. In the fifth O2- site, O2- is bonded to three Sm3+ and one Au3+ atom to form distorted OSm3Au trigonal pyramids that share corners with four OSm4 tetrahedra, corners with nine OSm3Au trigonal pyramids, edges with two OSm4 tetrahedra, and edges with two OSm3Au trigonal pyramids.},
doi = {10.17188/1191614},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}