U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sm3AuO6 by Materials Project
Abstract
Sm3AuO6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sm–O bond distances ranging from 2.28–2.63 Å. In the second Sm3+ site, Sm3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are four shorter (2.37 Å) and two longer (2.38 Å) Sm–O bond lengths. Au3+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.03 Å) and two longer (2.05 Å) Au–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Sm3+ and one Au3+ atom to form a mixture of distorted corner and edge-sharing OSm3Au trigonal pyramids. In the second O2- site, O2- is bonded to four Sm3+ atoms to form a mixture of corner and edge-sharing OSm4 tetrahedra. In the third O2- site, O2- is bonded to three Sm3+ and one Au3+ atom to form OSm3Au tetrahedra that share corners with eight OSm3Au tetrahedra, corners with four equivalent OSm3Au trigonal pyramids, edges with two equivalent OSm4 tetrahedra, and edges withmore »
- Publication Date:
- Other Number(s):
- mp-10560
- 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; Sm3AuO6; crystal structure
- OSTI Identifier:
- 1187202
- DOI:
- https://doi.org/10.17188/1187202
Citation Formats
Materials Data on Sm3AuO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1187202.
Materials Data on Sm3AuO6 by Materials Project. United States. doi:https://doi.org/10.17188/1187202
2020.
"Materials Data on Sm3AuO6 by Materials Project". United States. doi:https://doi.org/10.17188/1187202. https://www.osti.gov/servlets/purl/1187202. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1187202,
title = {Materials Data on Sm3AuO6 by Materials Project},
abstractNote = {Sm3AuO6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sm–O bond distances ranging from 2.28–2.63 Å. In the second Sm3+ site, Sm3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are four shorter (2.37 Å) and two longer (2.38 Å) Sm–O bond lengths. Au3+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.03 Å) and two longer (2.05 Å) Au–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Sm3+ and one Au3+ atom to form a mixture of distorted corner and edge-sharing OSm3Au trigonal pyramids. In the second O2- site, O2- is bonded to four Sm3+ atoms to form a mixture of corner and edge-sharing OSm4 tetrahedra. In the third O2- site, O2- is bonded to three Sm3+ and one Au3+ atom to form OSm3Au tetrahedra that share corners with eight OSm3Au tetrahedra, corners with four equivalent OSm3Au trigonal pyramids, edges with two equivalent OSm4 tetrahedra, and edges with two equivalent OSm3Au trigonal pyramids.},
doi = {10.17188/1187202},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}