U.S. Department of EnergyOffice of Scientific and Technical Information
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 »
- Publication Date:
- Other Number(s):
- mp-16160
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Au-O-Sm; Sm4Au2O9; crystal structure
- OSTI Identifier:
- 1191614
- DOI:
- https://doi.org/10.17188/1191614
Citation Formats
Materials Data on Sm4Au2O9 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1191614.
Materials Data on Sm4Au2O9 by Materials Project. United States. doi:https://doi.org/10.17188/1191614
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 04:00:00 UTC 2020
@article{osti_1191614,
title = {Materials Data on Sm4Au2O9 by 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}
}