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Title: Materials Data on Sm(NiBi)2 by Materials Project

Abstract

Sm(NiBi)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to eight Ni and nine Bi atoms. There are four shorter (3.29 Å) and four longer (3.60 Å) Sm–Ni bond lengths. There are a spread of Sm–Bi bond distances ranging from 3.45–3.61 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to four equivalent Sm and five Bi atoms. There are one shorter (2.53 Å) and four longer (2.65 Å) Ni–Bi bond lengths. In the second Ni site, Ni is bonded in a distorted body-centered cubic geometry to four equivalent Sm and four equivalent Bi atoms. All Ni–Bi bond lengths are 2.65 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 5-coordinate geometry to five equivalent Sm and five Ni atoms. In the second Bi site, Bi is bonded in a 4-coordinate geometry to four equivalent Sm and four equivalent Ni atoms.

Authors:
Publication Date:
Other Number(s):
mp-978997
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; Sm(NiBi)2; Bi-Ni-Sm
OSTI Identifier:
1316066
DOI:
https://doi.org/10.17188/1316066

Citation Formats

The Materials Project. Materials Data on Sm(NiBi)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316066.
The Materials Project. Materials Data on Sm(NiBi)2 by Materials Project. United States. doi:https://doi.org/10.17188/1316066
The Materials Project. 2020. "Materials Data on Sm(NiBi)2 by Materials Project". United States. doi:https://doi.org/10.17188/1316066. https://www.osti.gov/servlets/purl/1316066. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1316066,
title = {Materials Data on Sm(NiBi)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Sm(NiBi)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to eight Ni and nine Bi atoms. There are four shorter (3.29 Å) and four longer (3.60 Å) Sm–Ni bond lengths. There are a spread of Sm–Bi bond distances ranging from 3.45–3.61 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to four equivalent Sm and five Bi atoms. There are one shorter (2.53 Å) and four longer (2.65 Å) Ni–Bi bond lengths. In the second Ni site, Ni is bonded in a distorted body-centered cubic geometry to four equivalent Sm and four equivalent Bi atoms. All Ni–Bi bond lengths are 2.65 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 5-coordinate geometry to five equivalent Sm and five Ni atoms. In the second Bi site, Bi is bonded in a 4-coordinate geometry to four equivalent Sm and four equivalent Ni atoms.},
doi = {10.17188/1316066},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}