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Title: Materials Data on Ni21(SnP3)2 by Materials Project

Abstract

Ni21(SnP3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted bent 150 degrees geometry to one Ni and two equivalent P atoms. The Ni–Ni bond length is 2.73 Å. Both Ni–P bond lengths are 2.16 Å. In the second Ni site, Ni is bonded in a 4-coordinate geometry to one Sn and three equivalent P atoms. The Ni–Sn bond length is 2.57 Å. All Ni–P bond lengths are 2.27 Å. In the third Ni site, Ni is bonded in a 12-coordinate geometry to twelve equivalent Ni and six equivalent P atoms. All Ni–P bond lengths are 2.91 Å. Sn is bonded in a distorted tetrahedral geometry to four equivalent Ni atoms. P is bonded in a 8-coordinate geometry to nine Ni atoms.

Publication Date:
Other Number(s):
mp-568562
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; Ni21(SnP3)2; Ni-P-Sn
OSTI Identifier:
1274521
DOI:
10.17188/1274521

Citation Formats

The Materials Project. Materials Data on Ni21(SnP3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274521.
The Materials Project. Materials Data on Ni21(SnP3)2 by Materials Project. United States. doi:10.17188/1274521.
The Materials Project. 2020. "Materials Data on Ni21(SnP3)2 by Materials Project". United States. doi:10.17188/1274521. https://www.osti.gov/servlets/purl/1274521. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1274521,
title = {Materials Data on Ni21(SnP3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ni21(SnP3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted bent 150 degrees geometry to one Ni and two equivalent P atoms. The Ni–Ni bond length is 2.73 Å. Both Ni–P bond lengths are 2.16 Å. In the second Ni site, Ni is bonded in a 4-coordinate geometry to one Sn and three equivalent P atoms. The Ni–Sn bond length is 2.57 Å. All Ni–P bond lengths are 2.27 Å. In the third Ni site, Ni is bonded in a 12-coordinate geometry to twelve equivalent Ni and six equivalent P atoms. All Ni–P bond lengths are 2.91 Å. Sn is bonded in a distorted tetrahedral geometry to four equivalent Ni atoms. P is bonded in a 8-coordinate geometry to nine Ni atoms.},
doi = {10.17188/1274521},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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