DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on NdMn2 by Materials Project

Abstract

NdMn2 is Hexagonal Laves structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to four equivalent Nd and twelve Mn atoms. There are a spread of Nd–Nd bond distances ranging from 3.12–3.38 Å. There are a spread of Nd–Mn bond distances ranging from 3.02–3.26 Å. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded to six equivalent Nd and six Mn atoms to form a mixture of corner, edge, and face-sharing MnNd6Mn6 cuboctahedra. There are two shorter (2.60 Å) and four longer (2.74 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 corner, edge, and face-sharing MnNd6Mn6 cuboctahedra. There are two shorter (2.57 Å) and two longer (2.68 Å) Mn–Mn bond lengths. In the third Mn site, Mn is bonded to six equivalent Nd and six Mn atoms to form a mixture of corner, edge, and face-sharing MnNd6Mn6 cuboctahedra. There are one shorter (2.70 Å) and one longer (2.88 Å) Mn–Mn bond lengths.

Authors:
Publication Date:
Other Number(s):
mp-1102507
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:
1753519
DOI:
https://doi.org/10.17188/1753519

Citation Formats

The Materials Project. Materials Data on NdMn2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753519.
The Materials Project. Materials Data on NdMn2 by Materials Project. United States. doi:https://doi.org/10.17188/1753519
The Materials Project. 2020. "Materials Data on NdMn2 by Materials Project". United States. doi:https://doi.org/10.17188/1753519. https://www.osti.gov/servlets/purl/1753519. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1753519,
title = {Materials Data on NdMn2 by Materials Project},
author = {The Materials Project},
abstractNote = {NdMn2 is Hexagonal Laves structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to four equivalent Nd and twelve Mn atoms. There are a spread of Nd–Nd bond distances ranging from 3.12–3.38 Å. There are a spread of Nd–Mn bond distances ranging from 3.02–3.26 Å. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded to six equivalent Nd and six Mn atoms to form a mixture of corner, edge, and face-sharing MnNd6Mn6 cuboctahedra. There are two shorter (2.60 Å) and four longer (2.74 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 corner, edge, and face-sharing MnNd6Mn6 cuboctahedra. There are two shorter (2.57 Å) and two longer (2.68 Å) Mn–Mn bond lengths. In the third Mn site, Mn is bonded to six equivalent Nd and six Mn atoms to form a mixture of corner, edge, and face-sharing MnNd6Mn6 cuboctahedra. There are one shorter (2.70 Å) and one longer (2.88 Å) Mn–Mn bond lengths.},
doi = {10.17188/1753519},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}