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Title: Materials Data on SmMn2 by Materials Project

Abstract

SmMn2 is Hexagonal Laves structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to four equivalent Sm and twelve Mn atoms. There are one shorter (3.11 Å) and three longer (3.35 Å) Sm–Sm bond lengths. There are a spread of Sm–Mn bond distances ranging from 2.98–3.24 Å. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded to six equivalent Sm and six Mn atoms to form a mixture of corner, edge, and face-sharing MnSm6Mn6 cuboctahedra. There are two shorter (2.64 Å) and four longer (2.74 Å) Mn–Mn bond lengths. In the second Mn site, Mn is bonded to six equivalent Sm and six Mn atoms to form a mixture of corner, edge, and face-sharing MnSm6Mn6 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.57–2.85 Å. In the third Mn site, Mn is bonded to six equivalent Sm and six Mn atoms to form a mixture of corner, edge, and face-sharing MnSm6Mn6 cuboctahedra.

Authors:
Publication Date:
Other Number(s):
mp-1102799
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; SmMn2; Mn-Sm
OSTI Identifier:
1708646
DOI:
https://doi.org/10.17188/1708646

Citation Formats

The Materials Project. Materials Data on SmMn2 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1708646.
The Materials Project. Materials Data on SmMn2 by Materials Project. United States. doi:https://doi.org/10.17188/1708646
The Materials Project. 2018. "Materials Data on SmMn2 by Materials Project". United States. doi:https://doi.org/10.17188/1708646. https://www.osti.gov/servlets/purl/1708646. Pub date:Wed Jul 18 00:00:00 EDT 2018
@article{osti_1708646,
title = {Materials Data on SmMn2 by Materials Project},
author = {The Materials Project},
abstractNote = {SmMn2 is Hexagonal Laves structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to four equivalent Sm and twelve Mn atoms. There are one shorter (3.11 Å) and three longer (3.35 Å) Sm–Sm bond lengths. There are a spread of Sm–Mn bond distances ranging from 2.98–3.24 Å. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded to six equivalent Sm and six Mn atoms to form a mixture of corner, edge, and face-sharing MnSm6Mn6 cuboctahedra. There are two shorter (2.64 Å) and four longer (2.74 Å) Mn–Mn bond lengths. In the second Mn site, Mn is bonded to six equivalent Sm and six Mn atoms to form a mixture of corner, edge, and face-sharing MnSm6Mn6 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.57–2.85 Å. In the third Mn site, Mn is bonded to six equivalent Sm and six Mn atoms to form a mixture of corner, edge, and face-sharing MnSm6Mn6 cuboctahedra.},
doi = {10.17188/1708646},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}