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Title: Materials Data on SmBi2Au by Materials Project

Abstract

SmAuBi2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm is bonded to four equivalent Au and eight Bi atoms to form a mixture of edge, face, and corner-sharing SmBi8Au4 cuboctahedra. All Sm–Au bond lengths are 3.30 Å. There are four shorter (3.33 Å) and four longer (3.55 Å) Sm–Bi bond lengths. Au is bonded in a distorted body-centered cubic geometry to four equivalent Sm and four equivalent Bi atoms. All Au–Bi bond lengths are 3.03 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Sm and four equivalent Au atoms. In the second Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Sm and four equivalent Bi atoms. All Bi–Bi bond lengths are 3.31 Å.

Authors:
Publication Date:
Other Number(s):
mp-1080419
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; SmBi2Au; Au-Bi-Sm
OSTI Identifier:
1662657
DOI:
https://doi.org/10.17188/1662657

Citation Formats

The Materials Project. Materials Data on SmBi2Au by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1662657.
The Materials Project. Materials Data on SmBi2Au by Materials Project. United States. doi:https://doi.org/10.17188/1662657
The Materials Project. 2020. "Materials Data on SmBi2Au by Materials Project". United States. doi:https://doi.org/10.17188/1662657. https://www.osti.gov/servlets/purl/1662657. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1662657,
title = {Materials Data on SmBi2Au by Materials Project},
author = {The Materials Project},
abstractNote = {SmAuBi2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm is bonded to four equivalent Au and eight Bi atoms to form a mixture of edge, face, and corner-sharing SmBi8Au4 cuboctahedra. All Sm–Au bond lengths are 3.30 Å. There are four shorter (3.33 Å) and four longer (3.55 Å) Sm–Bi bond lengths. Au is bonded in a distorted body-centered cubic geometry to four equivalent Sm and four equivalent Bi atoms. All Au–Bi bond lengths are 3.03 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Sm and four equivalent Au atoms. In the second Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Sm and four equivalent Bi atoms. All Bi–Bi bond lengths are 3.31 Å.},
doi = {10.17188/1662657},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}