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

Title: Materials Data on Ni7Sn8 by Materials Project

Abstract

Ni7Sn8 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are five inequivalent Ni sites. In the first Ni site, Ni is bonded in a 10-coordinate geometry to three Ni and seven Sn atoms. There are two shorter (2.69 Å) and one longer (2.81 Å) Ni–Ni bond lengths. There are a spread of Ni–Sn bond distances ranging from 2.66–2.89 Å. In the second Ni site, Ni is bonded in a 11-coordinate geometry to four Ni and seven Sn atoms. There are one shorter (2.87 Å) and one longer (3.00 Å) Ni–Ni bond lengths. There are a spread of Ni–Sn bond distances ranging from 2.62–2.90 Å. In the third Ni site, Ni is bonded in a 10-coordinate geometry to four Ni and six Sn atoms. Both Ni–Ni bond lengths are 2.63 Å. There are four shorter (2.64 Å) and two longer (2.66 Å) Ni–Sn bond lengths. In the fourth Ni site, Ni is bonded to two equivalent Ni and six Sn atoms to form distorted edge-sharing NiNi2Sn6 octahedra. There are two shorter (2.54 Å) and four longer (2.64 Å) Ni–Sn bond lengths. In the fifth Ni site, Ni is bonded in a 6-coordinate geometry to four Ni andmore » six Sn atoms. There are two shorter (2.54 Å) and four longer (2.60 Å) Ni–Sn bond lengths. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 5-coordinate geometry to five Ni atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six Ni atoms. In the third Sn site, Sn is bonded in a 7-coordinate geometry to seven Ni atoms. In the fourth Sn site, Sn is bonded in a 6-coordinate geometry to five Ni and one Sn atom. The Sn–Sn bond length is 2.93 Å.« less

Publication Date:
Other Number(s):
mp-1219822
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; Ni7Sn8; Ni-Sn
OSTI Identifier:
1729589
DOI:
https://doi.org/10.17188/1729589

Citation Formats

The Materials Project. Materials Data on Ni7Sn8 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1729589.
The Materials Project. Materials Data on Ni7Sn8 by Materials Project. United States. doi:https://doi.org/10.17188/1729589
The Materials Project. 2019. "Materials Data on Ni7Sn8 by Materials Project". United States. doi:https://doi.org/10.17188/1729589. https://www.osti.gov/servlets/purl/1729589. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1729589,
title = {Materials Data on Ni7Sn8 by Materials Project},
author = {The Materials Project},
abstractNote = {Ni7Sn8 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are five inequivalent Ni sites. In the first Ni site, Ni is bonded in a 10-coordinate geometry to three Ni and seven Sn atoms. There are two shorter (2.69 Å) and one longer (2.81 Å) Ni–Ni bond lengths. There are a spread of Ni–Sn bond distances ranging from 2.66–2.89 Å. In the second Ni site, Ni is bonded in a 11-coordinate geometry to four Ni and seven Sn atoms. There are one shorter (2.87 Å) and one longer (3.00 Å) Ni–Ni bond lengths. There are a spread of Ni–Sn bond distances ranging from 2.62–2.90 Å. In the third Ni site, Ni is bonded in a 10-coordinate geometry to four Ni and six Sn atoms. Both Ni–Ni bond lengths are 2.63 Å. There are four shorter (2.64 Å) and two longer (2.66 Å) Ni–Sn bond lengths. In the fourth Ni site, Ni is bonded to two equivalent Ni and six Sn atoms to form distorted edge-sharing NiNi2Sn6 octahedra. There are two shorter (2.54 Å) and four longer (2.64 Å) Ni–Sn bond lengths. In the fifth Ni site, Ni is bonded in a 6-coordinate geometry to four Ni and six Sn atoms. There are two shorter (2.54 Å) and four longer (2.60 Å) Ni–Sn bond lengths. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 5-coordinate geometry to five Ni atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six Ni atoms. In the third Sn site, Sn is bonded in a 7-coordinate geometry to seven Ni atoms. In the fourth Sn site, Sn is bonded in a 6-coordinate geometry to five Ni and one Sn atom. The Sn–Sn bond length is 2.93 Å.},
doi = {10.17188/1729589},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}