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Title: Materials Data on Dy2Mn12Ga5 by Materials Project

Abstract

Dy2Mn12Ga5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 12-coordinate geometry to eighteen Mn atoms. There are a spread of Dy–Mn bond distances ranging from 2.97–3.35 Å. In the second Dy site, Dy is bonded in a 8-coordinate geometry to twelve Mn and eight Ga atoms. There are a spread of Dy–Mn bond distances ranging from 3.06–3.45 Å. There are a spread of Dy–Ga bond distances ranging from 3.10–3.36 Å. There are five inequivalent Mn sites. In the first Mn site, Mn is bonded in a 12-coordinate geometry to two Dy, six Mn, and four Ga atoms. There are a spread of Mn–Mn bond distances ranging from 2.59–2.76 Å. There are two shorter (2.58 Å) and two longer (2.96 Å) Mn–Ga bond lengths. In the second Mn site, Mn is bonded in a 12-coordinate geometry to two Dy, six Mn, and four Ga atoms. There are a spread of Mn–Mn bond distances ranging from 2.57–2.79 Å. There are two shorter (2.60 Å) and two longer (2.93 Å) Mn–Ga bond lengths. In the third Mn site, Mn is bonded in a 12-coordinatemore » geometry to two Dy, six Mn, and four Ga atoms. There are two shorter (2.65 Å) and two longer (2.68 Å) Mn–Mn bond lengths. There are two shorter (2.58 Å) and two longer (2.95 Å) Mn–Ga bond lengths. In the fourth Mn site, Mn is bonded in a 12-coordinate geometry to three Dy, six Mn, and three Ga atoms. There are one shorter (2.37 Å) and one longer (2.50 Å) Mn–Mn bond lengths. There are a spread of Mn–Ga bond distances ranging from 2.59–2.86 Å. In the fifth Mn site, Mn is bonded in a 12-coordinate geometry to three Dy, six Mn, and three Ga atoms. There are two shorter (2.60 Å) and one longer (2.90 Å) Mn–Ga bond lengths. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to one Dy, nine Mn, and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.49–2.71 Å. In the second Ga site, Ga is bonded to two equivalent Dy, eight Mn, and two equivalent Ga atoms to form a mixture of distorted face and corner-sharing GaDy2Mn8Ga2 cuboctahedra. In the third Ga site, Ga is bonded to two equivalent Dy, eight Mn, and two equivalent Ga atoms to form a mixture of distorted face and corner-sharing GaDy2Mn8Ga2 cuboctahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1198406
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; Dy2Mn12Ga5; Dy-Ga-Mn
OSTI Identifier:
1682154
DOI:
https://doi.org/10.17188/1682154

Citation Formats

The Materials Project. Materials Data on Dy2Mn12Ga5 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1682154.
The Materials Project. Materials Data on Dy2Mn12Ga5 by Materials Project. United States. doi:https://doi.org/10.17188/1682154
The Materials Project. 2019. "Materials Data on Dy2Mn12Ga5 by Materials Project". United States. doi:https://doi.org/10.17188/1682154. https://www.osti.gov/servlets/purl/1682154. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1682154,
title = {Materials Data on Dy2Mn12Ga5 by Materials Project},
author = {The Materials Project},
abstractNote = {Dy2Mn12Ga5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 12-coordinate geometry to eighteen Mn atoms. There are a spread of Dy–Mn bond distances ranging from 2.97–3.35 Å. In the second Dy site, Dy is bonded in a 8-coordinate geometry to twelve Mn and eight Ga atoms. There are a spread of Dy–Mn bond distances ranging from 3.06–3.45 Å. There are a spread of Dy–Ga bond distances ranging from 3.10–3.36 Å. There are five inequivalent Mn sites. In the first Mn site, Mn is bonded in a 12-coordinate geometry to two Dy, six Mn, and four Ga atoms. There are a spread of Mn–Mn bond distances ranging from 2.59–2.76 Å. There are two shorter (2.58 Å) and two longer (2.96 Å) Mn–Ga bond lengths. In the second Mn site, Mn is bonded in a 12-coordinate geometry to two Dy, six Mn, and four Ga atoms. There are a spread of Mn–Mn bond distances ranging from 2.57–2.79 Å. There are two shorter (2.60 Å) and two longer (2.93 Å) Mn–Ga bond lengths. In the third Mn site, Mn is bonded in a 12-coordinate geometry to two Dy, six Mn, and four Ga atoms. There are two shorter (2.65 Å) and two longer (2.68 Å) Mn–Mn bond lengths. There are two shorter (2.58 Å) and two longer (2.95 Å) Mn–Ga bond lengths. In the fourth Mn site, Mn is bonded in a 12-coordinate geometry to three Dy, six Mn, and three Ga atoms. There are one shorter (2.37 Å) and one longer (2.50 Å) Mn–Mn bond lengths. There are a spread of Mn–Ga bond distances ranging from 2.59–2.86 Å. In the fifth Mn site, Mn is bonded in a 12-coordinate geometry to three Dy, six Mn, and three Ga atoms. There are two shorter (2.60 Å) and one longer (2.90 Å) Mn–Ga bond lengths. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to one Dy, nine Mn, and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.49–2.71 Å. In the second Ga site, Ga is bonded to two equivalent Dy, eight Mn, and two equivalent Ga atoms to form a mixture of distorted face and corner-sharing GaDy2Mn8Ga2 cuboctahedra. In the third Ga site, Ga is bonded to two equivalent Dy, eight Mn, and two equivalent Ga atoms to form a mixture of distorted face and corner-sharing GaDy2Mn8Ga2 cuboctahedra.},
doi = {10.17188/1682154},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}