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Title: Materials Data on DyAlNi by Materials Project

Abstract

NiAlDy crystallizes in the orthorhombic Amm2 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 four Dy, seven Ni, and five Al atoms. There are a spread of Dy–Dy bond distances ranging from 3.14–3.25 Å. There are a spread of Dy–Ni bond distances ranging from 2.96–3.19 Å. There are a spread of Dy–Al bond distances ranging from 3.13–3.15 Å. In the second Dy site, Dy is bonded in a 12-coordinate geometry to three equivalent Dy, five Ni, and seven Al atoms. There are a spread of Dy–Ni bond distances ranging from 2.92–3.10 Å. There are a spread of Dy–Al bond distances ranging from 3.10–3.25 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to six Dy, two equivalent Ni, and four Al atoms. Both Ni–Ni bond lengths are 2.77 Å. There are three shorter (2.56 Å) and one longer (2.57 Å) Ni–Al bond lengths. In the second Ni site, Ni is bonded to six Dy, four Ni, and two equivalent Al atoms to form distorted NiDy6Al2Ni4 cuboctahedra that share corners with four equivalent NiDy6Al2Ni4more » cuboctahedra, corners with ten AlDy6Al4Ni2 cuboctahedra, edges with two equivalent NiDy6Al2Ni4 cuboctahedra, edges with four equivalent AlDy6Al4Ni2 cuboctahedra, faces with four equivalent NiDy6Al2Ni4 cuboctahedra, and faces with eight AlDy6Ni6 cuboctahedra. There are one shorter (2.64 Å) and one longer (2.76 Å) Ni–Ni bond lengths. There are one shorter (2.51 Å) and one longer (2.78 Å) Ni–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded to six Dy and six Ni atoms to form distorted AlDy6Ni6 cuboctahedra that share corners with fourteen AlDy6Ni6 cuboctahedra, edges with six AlDy6Ni6 cuboctahedra, faces with four equivalent AlDy6Al4Ni2 cuboctahedra, and faces with eight equivalent NiDy6Al2Ni4 cuboctahedra. In the second Al site, Al is bonded to six Dy, two equivalent Ni, and four Al atoms to form distorted AlDy6Al4Ni2 cuboctahedra that share corners with six equivalent NiDy6Al2Ni4 cuboctahedra, corners with eight AlDy6Ni6 cuboctahedra, edges with two equivalent AlDy6Al4Ni2 cuboctahedra, edges with four equivalent NiDy6Al2Ni4 cuboctahedra, faces with two equivalent NiDy6Al2Ni4 cuboctahedra, and faces with ten AlDy6Ni6 cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.64–2.72 Å. In the third Al site, Al is bonded to six Dy, two equivalent Ni, and four equivalent Al atoms to form distorted AlDy6Al4Ni2 cuboctahedra that share corners with six AlDy6Ni6 cuboctahedra, corners with eight equivalent NiDy6Al2Ni4 cuboctahedra, edges with six AlDy6Ni6 cuboctahedra, faces with four equivalent NiDy6Al2Ni4 cuboctahedra, and faces with eight equivalent AlDy6Al4Ni2 cuboctahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1225397
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; DyAlNi; Al-Dy-Ni
OSTI Identifier:
1731272
DOI:
https://doi.org/10.17188/1731272

Citation Formats

The Materials Project. Materials Data on DyAlNi by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1731272.
The Materials Project. Materials Data on DyAlNi by Materials Project. United States. doi:https://doi.org/10.17188/1731272
The Materials Project. 2019. "Materials Data on DyAlNi by Materials Project". United States. doi:https://doi.org/10.17188/1731272. https://www.osti.gov/servlets/purl/1731272. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1731272,
title = {Materials Data on DyAlNi by Materials Project},
author = {The Materials Project},
abstractNote = {NiAlDy crystallizes in the orthorhombic Amm2 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 four Dy, seven Ni, and five Al atoms. There are a spread of Dy–Dy bond distances ranging from 3.14–3.25 Å. There are a spread of Dy–Ni bond distances ranging from 2.96–3.19 Å. There are a spread of Dy–Al bond distances ranging from 3.13–3.15 Å. In the second Dy site, Dy is bonded in a 12-coordinate geometry to three equivalent Dy, five Ni, and seven Al atoms. There are a spread of Dy–Ni bond distances ranging from 2.92–3.10 Å. There are a spread of Dy–Al bond distances ranging from 3.10–3.25 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to six Dy, two equivalent Ni, and four Al atoms. Both Ni–Ni bond lengths are 2.77 Å. There are three shorter (2.56 Å) and one longer (2.57 Å) Ni–Al bond lengths. In the second Ni site, Ni is bonded to six Dy, four Ni, and two equivalent Al atoms to form distorted NiDy6Al2Ni4 cuboctahedra that share corners with four equivalent NiDy6Al2Ni4 cuboctahedra, corners with ten AlDy6Al4Ni2 cuboctahedra, edges with two equivalent NiDy6Al2Ni4 cuboctahedra, edges with four equivalent AlDy6Al4Ni2 cuboctahedra, faces with four equivalent NiDy6Al2Ni4 cuboctahedra, and faces with eight AlDy6Ni6 cuboctahedra. There are one shorter (2.64 Å) and one longer (2.76 Å) Ni–Ni bond lengths. There are one shorter (2.51 Å) and one longer (2.78 Å) Ni–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded to six Dy and six Ni atoms to form distorted AlDy6Ni6 cuboctahedra that share corners with fourteen AlDy6Ni6 cuboctahedra, edges with six AlDy6Ni6 cuboctahedra, faces with four equivalent AlDy6Al4Ni2 cuboctahedra, and faces with eight equivalent NiDy6Al2Ni4 cuboctahedra. In the second Al site, Al is bonded to six Dy, two equivalent Ni, and four Al atoms to form distorted AlDy6Al4Ni2 cuboctahedra that share corners with six equivalent NiDy6Al2Ni4 cuboctahedra, corners with eight AlDy6Ni6 cuboctahedra, edges with two equivalent AlDy6Al4Ni2 cuboctahedra, edges with four equivalent NiDy6Al2Ni4 cuboctahedra, faces with two equivalent NiDy6Al2Ni4 cuboctahedra, and faces with ten AlDy6Ni6 cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.64–2.72 Å. In the third Al site, Al is bonded to six Dy, two equivalent Ni, and four equivalent Al atoms to form distorted AlDy6Al4Ni2 cuboctahedra that share corners with six AlDy6Ni6 cuboctahedra, corners with eight equivalent NiDy6Al2Ni4 cuboctahedra, edges with six AlDy6Ni6 cuboctahedra, faces with four equivalent NiDy6Al2Ni4 cuboctahedra, and faces with eight equivalent AlDy6Al4Ni2 cuboctahedra.},
doi = {10.17188/1731272},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}