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Title: Materials Data on Dy2Ni7Sn3 by Materials Project

Abstract

Dy2Ni7Sn3 is Bergman Structure: Mg32(Al,Zn)49 Bergman-like structured and crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 10-coordinate geometry to eight Ni and six Sn atoms. There are a spread of Dy–Ni bond distances ranging from 2.88–3.39 Å. There are a spread of Dy–Sn bond distances ranging from 3.17–3.30 Å. In the second Dy site, Dy is bonded in a 9-coordinate geometry to ten Ni and six Sn atoms. There are a spread of Dy–Ni bond distances ranging from 2.93–3.47 Å. There are a spread of Dy–Sn bond distances ranging from 3.27–3.31 Å. There are five inequivalent Ni sites. In the first Ni site, Ni is bonded in a 10-coordinate geometry to four equivalent Dy, one Ni, and four Sn atoms. The Ni–Ni bond length is 2.60 Å. There are a spread of Ni–Sn bond distances ranging from 2.61–2.69 Å. In the second Ni site, Ni is bonded in a 12-coordinate geometry to two equivalent Dy, seven Ni, and three Sn atoms. There are a spread of Ni–Ni bond distances ranging from 2.40–2.88 Å. There are two shorter (2.54 Å) and onemore » longer (2.57 Å) Ni–Sn bond lengths. In the third Ni site, Ni is bonded in a 11-coordinate geometry to two Dy, five Ni, and four Sn atoms. There are a spread of Ni–Ni bond distances ranging from 2.40–2.53 Å. There are a spread of Ni–Sn bond distances ranging from 2.57–3.01 Å. In the fourth Ni site, Ni is bonded in a 10-coordinate geometry to three equivalent Dy, four Ni, and three Sn atoms. There are one shorter (2.56 Å) and one longer (2.63 Å) Ni–Ni bond lengths. There are a spread of Ni–Sn bond distances ranging from 2.53–2.68 Å. In the fifth Ni site, Ni is bonded in a 11-coordinate geometry to two equivalent Dy, six Ni, and three Sn atoms. There are two shorter (2.61 Å) and one longer (2.81 Å) Ni–Sn bond lengths. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Dy and eight Ni atoms. In the second Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Dy and eight Ni atoms. In the third Sn site, Sn is bonded to four Dy and eight Ni atoms to form a mixture of distorted face and corner-sharing SnDy4Ni8 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-568709
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Dy2Ni7Sn3; Dy-Ni-Sn
OSTI Identifier:
1274654
DOI:
https://doi.org/10.17188/1274654

Citation Formats

The Materials Project. Materials Data on Dy2Ni7Sn3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274654.
The Materials Project. Materials Data on Dy2Ni7Sn3 by Materials Project. United States. doi:https://doi.org/10.17188/1274654
The Materials Project. 2020. "Materials Data on Dy2Ni7Sn3 by Materials Project". United States. doi:https://doi.org/10.17188/1274654. https://www.osti.gov/servlets/purl/1274654. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1274654,
title = {Materials Data on Dy2Ni7Sn3 by Materials Project},
author = {The Materials Project},
abstractNote = {Dy2Ni7Sn3 is Bergman Structure: Mg32(Al,Zn)49 Bergman-like structured and crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 10-coordinate geometry to eight Ni and six Sn atoms. There are a spread of Dy–Ni bond distances ranging from 2.88–3.39 Å. There are a spread of Dy–Sn bond distances ranging from 3.17–3.30 Å. In the second Dy site, Dy is bonded in a 9-coordinate geometry to ten Ni and six Sn atoms. There are a spread of Dy–Ni bond distances ranging from 2.93–3.47 Å. There are a spread of Dy–Sn bond distances ranging from 3.27–3.31 Å. There are five inequivalent Ni sites. In the first Ni site, Ni is bonded in a 10-coordinate geometry to four equivalent Dy, one Ni, and four Sn atoms. The Ni–Ni bond length is 2.60 Å. There are a spread of Ni–Sn bond distances ranging from 2.61–2.69 Å. In the second Ni site, Ni is bonded in a 12-coordinate geometry to two equivalent Dy, seven Ni, and three Sn atoms. There are a spread of Ni–Ni bond distances ranging from 2.40–2.88 Å. There are two shorter (2.54 Å) and one longer (2.57 Å) Ni–Sn bond lengths. In the third Ni site, Ni is bonded in a 11-coordinate geometry to two Dy, five Ni, and four Sn atoms. There are a spread of Ni–Ni bond distances ranging from 2.40–2.53 Å. There are a spread of Ni–Sn bond distances ranging from 2.57–3.01 Å. In the fourth Ni site, Ni is bonded in a 10-coordinate geometry to three equivalent Dy, four Ni, and three Sn atoms. There are one shorter (2.56 Å) and one longer (2.63 Å) Ni–Ni bond lengths. There are a spread of Ni–Sn bond distances ranging from 2.53–2.68 Å. In the fifth Ni site, Ni is bonded in a 11-coordinate geometry to two equivalent Dy, six Ni, and three Sn atoms. There are two shorter (2.61 Å) and one longer (2.81 Å) Ni–Sn bond lengths. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Dy and eight Ni atoms. In the second Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Dy and eight Ni atoms. In the third Sn site, Sn is bonded to four Dy and eight Ni atoms to form a mixture of distorted face and corner-sharing SnDy4Ni8 cuboctahedra.},
doi = {10.17188/1274654},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}