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Title: Materials Data on Ni10SnP3 by Materials Project

Abstract

Ni10SnP3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are seven inequivalent Ni sites. In the first Ni site, Ni is bonded in a 3-coordinate geometry to three equivalent P atoms. All Ni–P bond lengths are 2.29 Å. In the second Ni site, Ni is bonded in a distorted bent 150 degrees geometry to two equivalent Sn and two equivalent P atoms. Both Ni–Sn bond lengths are 2.87 Å. Both Ni–P bond lengths are 2.25 Å. In the third Ni site, Ni is bonded in a 3-coordinate geometry to one Ni, one Sn, and three P atoms. The Ni–Ni bond length is 2.51 Å. The Ni–Sn bond length is 2.61 Å. There are two shorter (2.20 Å) and one longer (2.29 Å) Ni–P bond lengths. In the fourth Ni site, Ni is bonded in a 2-coordinate geometry to one Ni, two Sn, and two equivalent P atoms. The Ni–Ni bond length is 2.78 Å. There are one shorter (2.65 Å) and one longer (3.03 Å) Ni–Sn bond lengths. Both Ni–P bond lengths are 2.29 Å. In the fifth Ni site, Ni is bonded in a 3-coordinate geometry to one Ni, one Sn, and three P atoms.more » The Ni–Ni bond length is 2.72 Å. The Ni–Sn bond length is 2.61 Å. There are two shorter (2.27 Å) and one longer (2.31 Å) Ni–P bond lengths. In the sixth Ni site, Ni is bonded in a 4-coordinate geometry to nine Ni, one Sn, and three equivalent P atoms. The Ni–Sn bond length is 2.54 Å. All Ni–P bond lengths are 2.40 Å. In the seventh Ni site, Ni is bonded in a 4-coordinate geometry to one Sn and three equivalent P atoms. The Ni–Sn bond length is 2.45 Å. All Ni–P bond lengths are 2.36 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a cuboctahedral geometry to twelve Ni atoms. In the second Sn site, Sn is bonded in a 5-coordinate geometry to fourteen Ni atoms. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to nine Ni atoms. In the second P site, P is bonded in a body-centered cubic geometry to eight Ni atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-29885
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; Ni10SnP3; Ni-P-Sn
OSTI Identifier:
1204319
DOI:
https://doi.org/10.17188/1204319

Citation Formats

The Materials Project. Materials Data on Ni10SnP3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204319.
The Materials Project. Materials Data on Ni10SnP3 by Materials Project. United States. doi:https://doi.org/10.17188/1204319
The Materials Project. 2020. "Materials Data on Ni10SnP3 by Materials Project". United States. doi:https://doi.org/10.17188/1204319. https://www.osti.gov/servlets/purl/1204319. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1204319,
title = {Materials Data on Ni10SnP3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ni10SnP3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are seven inequivalent Ni sites. In the first Ni site, Ni is bonded in a 3-coordinate geometry to three equivalent P atoms. All Ni–P bond lengths are 2.29 Å. In the second Ni site, Ni is bonded in a distorted bent 150 degrees geometry to two equivalent Sn and two equivalent P atoms. Both Ni–Sn bond lengths are 2.87 Å. Both Ni–P bond lengths are 2.25 Å. In the third Ni site, Ni is bonded in a 3-coordinate geometry to one Ni, one Sn, and three P atoms. The Ni–Ni bond length is 2.51 Å. The Ni–Sn bond length is 2.61 Å. There are two shorter (2.20 Å) and one longer (2.29 Å) Ni–P bond lengths. In the fourth Ni site, Ni is bonded in a 2-coordinate geometry to one Ni, two Sn, and two equivalent P atoms. The Ni–Ni bond length is 2.78 Å. There are one shorter (2.65 Å) and one longer (3.03 Å) Ni–Sn bond lengths. Both Ni–P bond lengths are 2.29 Å. In the fifth Ni site, Ni is bonded in a 3-coordinate geometry to one Ni, one Sn, and three P atoms. The Ni–Ni bond length is 2.72 Å. The Ni–Sn bond length is 2.61 Å. There are two shorter (2.27 Å) and one longer (2.31 Å) Ni–P bond lengths. In the sixth Ni site, Ni is bonded in a 4-coordinate geometry to nine Ni, one Sn, and three equivalent P atoms. The Ni–Sn bond length is 2.54 Å. All Ni–P bond lengths are 2.40 Å. In the seventh Ni site, Ni is bonded in a 4-coordinate geometry to one Sn and three equivalent P atoms. The Ni–Sn bond length is 2.45 Å. All Ni–P bond lengths are 2.36 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a cuboctahedral geometry to twelve Ni atoms. In the second Sn site, Sn is bonded in a 5-coordinate geometry to fourteen Ni atoms. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to nine Ni atoms. In the second P site, P is bonded in a body-centered cubic geometry to eight Ni atoms.},
doi = {10.17188/1204319},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}