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Title: Materials Data on NdMn2 by Materials Project

Abstract

NdMn2 is Hexagonal Laves structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 12-coordinate geometry to four Nd and twelve Mn atoms. There are a spread of Nd–Nd bond distances ranging from 3.20–3.31 Å. There are a spread of Nd–Mn bond distances ranging from 3.03–3.20 Å. In the second Nd site, Nd is bonded in a 12-coordinate geometry to four Nd and twelve Mn atoms. There are one shorter (3.28 Å) and two longer (3.31 Å) Nd–Nd bond lengths. There are a spread of Nd–Mn bond distances ranging from 3.04–3.20 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded to six equivalent Nd and six Mn atoms to form a mixture of edge, face, and corner-sharing MnNd6Mn6 cuboctahedra. There are two shorter (2.55 Å) and four longer (2.58 Å) Mn–Mn bond lengths. In the second Mn site, Mn is bonded to six equivalent Nd and six Mn atoms to form a mixture of edge, face, and corner-sharing MnNd6Mn6 cuboctahedra. There are two shorter (2.57 Å) and four longer (2.59 Å) Mn–Mn bond lengths. Inmore » the third Mn site, Mn is bonded to six Nd and six Mn atoms to form a mixture of edge, face, and corner-sharing MnNd6Mn6 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.62–2.85 Å. In the fourth Mn site, Mn is bonded to six Nd and six Mn atoms to form a mixture of edge, face, and corner-sharing MnNd6Mn6 cuboctahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-569334
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; NdMn2; Mn-Nd
OSTI Identifier:
1275042
DOI:
https://doi.org/10.17188/1275042

Citation Formats

The Materials Project. Materials Data on NdMn2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275042.
The Materials Project. Materials Data on NdMn2 by Materials Project. United States. doi:https://doi.org/10.17188/1275042
The Materials Project. 2020. "Materials Data on NdMn2 by Materials Project". United States. doi:https://doi.org/10.17188/1275042. https://www.osti.gov/servlets/purl/1275042. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1275042,
title = {Materials Data on NdMn2 by Materials Project},
author = {The Materials Project},
abstractNote = {NdMn2 is Hexagonal Laves structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 12-coordinate geometry to four Nd and twelve Mn atoms. There are a spread of Nd–Nd bond distances ranging from 3.20–3.31 Å. There are a spread of Nd–Mn bond distances ranging from 3.03–3.20 Å. In the second Nd site, Nd is bonded in a 12-coordinate geometry to four Nd and twelve Mn atoms. There are one shorter (3.28 Å) and two longer (3.31 Å) Nd–Nd bond lengths. There are a spread of Nd–Mn bond distances ranging from 3.04–3.20 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded to six equivalent Nd and six Mn atoms to form a mixture of edge, face, and corner-sharing MnNd6Mn6 cuboctahedra. There are two shorter (2.55 Å) and four longer (2.58 Å) Mn–Mn bond lengths. In the second Mn site, Mn is bonded to six equivalent Nd and six Mn atoms to form a mixture of edge, face, and corner-sharing MnNd6Mn6 cuboctahedra. There are two shorter (2.57 Å) and four longer (2.59 Å) Mn–Mn bond lengths. In the third Mn site, Mn is bonded to six Nd and six Mn atoms to form a mixture of edge, face, and corner-sharing MnNd6Mn6 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.62–2.85 Å. In the fourth Mn site, Mn is bonded to six Nd and six Mn atoms to form a mixture of edge, face, and corner-sharing MnNd6Mn6 cuboctahedra.},
doi = {10.17188/1275042},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}