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Title: 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 » two equivalent OSm3Au trigonal pyramids.« less

Publication Date:
Other Number(s):
mp-10560
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Sm3AuO6; Au-O-Sm
OSTI Identifier:
1187202
DOI:
https://doi.org/10.17188/1187202

Citation Formats

The Materials Project. Materials Data on Sm3AuO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187202.
The Materials Project. Materials Data on Sm3AuO6 by Materials Project. United States. doi:https://doi.org/10.17188/1187202
The Materials Project. 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 00:00:00 EDT 2020
@article{osti_1187202,
title = {Materials Data on Sm3AuO6 by Materials Project},
author = {The 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}
}