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

Title: Materials Data on Nd2Mn5Co12 by Materials Project

Abstract

Nd2Mn5Co12 crystallizes in the hexagonal P6_3/mmc 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 eighteen Co atoms. There are a spread of Nd–Co bond distances ranging from 2.98–3.24 Å. In the second Nd site, Nd is bonded in a 8-coordinate geometry to eight Mn and twelve Co atoms. There are two shorter (3.01 Å) and six longer (3.18 Å) Nd–Mn bond lengths. There are six shorter (3.02 Å) and six longer (3.12 Å) Nd–Co bond lengths. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 11-coordinate geometry to one Nd, four Mn, and nine Co atoms. There are one shorter (2.22 Å) and three longer (2.60 Å) Mn–Mn bond lengths. There are three shorter (2.64 Å) and six longer (2.66 Å) Mn–Co bond lengths. In the second Mn site, Mn is bonded in a 12-coordinate geometry to two equivalent Nd, two equivalent Mn, and eight Co atoms. There are four shorter (2.42 Å) and four longer (2.43 Å) Mn–Co bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded inmore » a 12-coordinate geometry to two Nd, four Mn, and six Co atoms. There are a spread of Co–Co bond distances ranging from 2.38–2.65 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three Nd, three Mn, and six Co atoms. Both Co–Co bond lengths are 2.42 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1201029
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; Nd2Mn5Co12; Co-Mn-Nd
OSTI Identifier:
1666548
DOI:
https://doi.org/10.17188/1666548

Citation Formats

The Materials Project. Materials Data on Nd2Mn5Co12 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1666548.
The Materials Project. Materials Data on Nd2Mn5Co12 by Materials Project. United States. doi:https://doi.org/10.17188/1666548
The Materials Project. 2019. "Materials Data on Nd2Mn5Co12 by Materials Project". United States. doi:https://doi.org/10.17188/1666548. https://www.osti.gov/servlets/purl/1666548. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1666548,
title = {Materials Data on Nd2Mn5Co12 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd2Mn5Co12 crystallizes in the hexagonal P6_3/mmc 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 eighteen Co atoms. There are a spread of Nd–Co bond distances ranging from 2.98–3.24 Å. In the second Nd site, Nd is bonded in a 8-coordinate geometry to eight Mn and twelve Co atoms. There are two shorter (3.01 Å) and six longer (3.18 Å) Nd–Mn bond lengths. There are six shorter (3.02 Å) and six longer (3.12 Å) Nd–Co bond lengths. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 11-coordinate geometry to one Nd, four Mn, and nine Co atoms. There are one shorter (2.22 Å) and three longer (2.60 Å) Mn–Mn bond lengths. There are three shorter (2.64 Å) and six longer (2.66 Å) Mn–Co bond lengths. In the second Mn site, Mn is bonded in a 12-coordinate geometry to two equivalent Nd, two equivalent Mn, and eight Co atoms. There are four shorter (2.42 Å) and four longer (2.43 Å) Mn–Co bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to two Nd, four Mn, and six Co atoms. There are a spread of Co–Co bond distances ranging from 2.38–2.65 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three Nd, three Mn, and six Co atoms. Both Co–Co bond lengths are 2.42 Å.},
doi = {10.17188/1666548},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}