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

Title: Materials Data on SmAu6 by Materials Project

Abstract

SmAu6 crystallizes in the tetragonal P4_2/ncm space group. The structure is three-dimensional. Sm3+ is bonded in a 11-coordinate geometry to fifteen Au+0.50- atoms. There are a spread of Sm–Au bond distances ranging from 3.06–3.48 Å. There are five inequivalent Au+0.50- sites. In the first Au+0.50- site, Au+0.50- is bonded in a 2-coordinate geometry to three equivalent Sm3+ and five Au+0.50- atoms. There are a spread of Au–Au bond distances ranging from 2.81–3.18 Å. In the second Au+0.50- site, Au+0.50- is bonded in a distorted bent 120 degrees geometry to three equivalent Sm3+ and four Au+0.50- atoms. There are a spread of Au–Au bond distances ranging from 2.88–2.98 Å. In the third Au+0.50- site, Au+0.50- is bonded in a 10-coordinate geometry to two equivalent Sm3+ and eight Au+0.50- atoms. In the fourth Au+0.50- site, Au+0.50- is bonded in a 12-coordinate geometry to two equivalent Sm3+ and ten Au+0.50- atoms. There are a spread of Au–Au bond distances ranging from 2.87–3.09 Å. In the fifth Au+0.50- site, Au+0.50- is bonded in a distorted linear geometry to two equivalent Sm3+ and four equivalent Au+0.50- atoms.

Publication Date:
Other Number(s):
mp-1091
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; SmAu6; Au-Sm
OSTI Identifier:
1187453
DOI:
https://doi.org/10.17188/1187453

Citation Formats

The Materials Project. Materials Data on SmAu6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187453.
The Materials Project. Materials Data on SmAu6 by Materials Project. United States. doi:https://doi.org/10.17188/1187453
The Materials Project. 2020. "Materials Data on SmAu6 by Materials Project". United States. doi:https://doi.org/10.17188/1187453. https://www.osti.gov/servlets/purl/1187453. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1187453,
title = {Materials Data on SmAu6 by Materials Project},
author = {The Materials Project},
abstractNote = {SmAu6 crystallizes in the tetragonal P4_2/ncm space group. The structure is three-dimensional. Sm3+ is bonded in a 11-coordinate geometry to fifteen Au+0.50- atoms. There are a spread of Sm–Au bond distances ranging from 3.06–3.48 Å. There are five inequivalent Au+0.50- sites. In the first Au+0.50- site, Au+0.50- is bonded in a 2-coordinate geometry to three equivalent Sm3+ and five Au+0.50- atoms. There are a spread of Au–Au bond distances ranging from 2.81–3.18 Å. In the second Au+0.50- site, Au+0.50- is bonded in a distorted bent 120 degrees geometry to three equivalent Sm3+ and four Au+0.50- atoms. There are a spread of Au–Au bond distances ranging from 2.88–2.98 Å. In the third Au+0.50- site, Au+0.50- is bonded in a 10-coordinate geometry to two equivalent Sm3+ and eight Au+0.50- atoms. In the fourth Au+0.50- site, Au+0.50- is bonded in a 12-coordinate geometry to two equivalent Sm3+ and ten Au+0.50- atoms. There are a spread of Au–Au bond distances ranging from 2.87–3.09 Å. In the fifth Au+0.50- site, Au+0.50- is bonded in a distorted linear geometry to two equivalent Sm3+ and four equivalent Au+0.50- atoms.},
doi = {10.17188/1187453},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}