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Title: Materials Data on SmMn2Ni3 by Materials Project

Abstract

SmMn2Ni3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Sm is bonded in a 6-coordinate geometry to six equivalent Mn and twelve Ni atoms. There are two shorter (2.91 Å) and four longer (2.93 Å) Sm–Mn bond lengths. There are eight shorter (3.22 Å) and four longer (3.24 Å) Sm–Ni bond lengths. Mn is bonded in a 12-coordinate geometry to three equivalent Sm and six Ni atoms. There are two shorter (2.47 Å) and four longer (2.48 Å) Mn–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Sm, four equivalent Mn, and four equivalent Ni atoms to form a mixture of distorted edge, corner, and face-sharing NiSm4Mn4Ni4 cuboctahedra. All Ni–Ni bond lengths are 2.53 Å. In the second Ni site, Ni is bonded to four equivalent Sm, four equivalent Mn, and four Ni atoms to form a mixture of distorted edge, corner, and face-sharing NiSm4Mn4Ni4 cuboctahedra. Both Ni–Ni bond lengths are 2.55 Å.

Publication Date:
Other Number(s):
mp-1219013
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; SmMn2Ni3; Mn-Ni-Sm
OSTI Identifier:
1656423
DOI:
https://doi.org/10.17188/1656423

Citation Formats

The Materials Project. Materials Data on SmMn2Ni3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1656423.
The Materials Project. Materials Data on SmMn2Ni3 by Materials Project. United States. doi:https://doi.org/10.17188/1656423
The Materials Project. 2020. "Materials Data on SmMn2Ni3 by Materials Project". United States. doi:https://doi.org/10.17188/1656423. https://www.osti.gov/servlets/purl/1656423. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1656423,
title = {Materials Data on SmMn2Ni3 by Materials Project},
author = {The Materials Project},
abstractNote = {SmMn2Ni3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Sm is bonded in a 6-coordinate geometry to six equivalent Mn and twelve Ni atoms. There are two shorter (2.91 Å) and four longer (2.93 Å) Sm–Mn bond lengths. There are eight shorter (3.22 Å) and four longer (3.24 Å) Sm–Ni bond lengths. Mn is bonded in a 12-coordinate geometry to three equivalent Sm and six Ni atoms. There are two shorter (2.47 Å) and four longer (2.48 Å) Mn–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Sm, four equivalent Mn, and four equivalent Ni atoms to form a mixture of distorted edge, corner, and face-sharing NiSm4Mn4Ni4 cuboctahedra. All Ni–Ni bond lengths are 2.53 Å. In the second Ni site, Ni is bonded to four equivalent Sm, four equivalent Mn, and four Ni atoms to form a mixture of distorted edge, corner, and face-sharing NiSm4Mn4Ni4 cuboctahedra. Both Ni–Ni bond lengths are 2.55 Å.},
doi = {10.17188/1656423},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}