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Title: Materials Data on Zr2Ni2Sn by Materials Project

Abstract

Zr2Ni2Sn crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 10-coordinate geometry to six equivalent Ni and four equivalent Sn atoms. There are four shorter (2.68 Å) and two longer (2.74 Å) Zr–Ni bond lengths. All Zr–Sn bond lengths are 3.12 Å. In the second Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Ni and four equivalent Sn atoms. There are two shorter (2.66 Å) and four longer (2.80 Å) Zr–Ni bond lengths. All Zr–Sn bond lengths are 3.19 Å. Ni is bonded in a 6-coordinate geometry to six Zr and two equivalent Sn atoms. Both Ni–Sn bond lengths are 2.82 Å. Sn is bonded to eight Zr and four equivalent Ni atoms to form a mixture of distorted face and corner-sharing SnZr8Ni4 cuboctahedra.

Publication Date:
Other Number(s):
mp-510040
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; Zr2Ni2Sn; Ni-Sn-Zr
OSTI Identifier:
1262818
DOI:
https://doi.org/10.17188/1262818

Citation Formats

The Materials Project. Materials Data on Zr2Ni2Sn by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262818.
The Materials Project. Materials Data on Zr2Ni2Sn by Materials Project. United States. doi:https://doi.org/10.17188/1262818
The Materials Project. 2020. "Materials Data on Zr2Ni2Sn by Materials Project". United States. doi:https://doi.org/10.17188/1262818. https://www.osti.gov/servlets/purl/1262818. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1262818,
title = {Materials Data on Zr2Ni2Sn by Materials Project},
author = {The Materials Project},
abstractNote = {Zr2Ni2Sn crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 10-coordinate geometry to six equivalent Ni and four equivalent Sn atoms. There are four shorter (2.68 Å) and two longer (2.74 Å) Zr–Ni bond lengths. All Zr–Sn bond lengths are 3.12 Å. In the second Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Ni and four equivalent Sn atoms. There are two shorter (2.66 Å) and four longer (2.80 Å) Zr–Ni bond lengths. All Zr–Sn bond lengths are 3.19 Å. Ni is bonded in a 6-coordinate geometry to six Zr and two equivalent Sn atoms. Both Ni–Sn bond lengths are 2.82 Å. Sn is bonded to eight Zr and four equivalent Ni atoms to form a mixture of distorted face and corner-sharing SnZr8Ni4 cuboctahedra.},
doi = {10.17188/1262818},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}