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Title: Materials Data on Si2Ni7P5 by Materials Project

Abstract

(Ni)3(Ni2SiP)2(P)3 crystallizes in the orthorhombic Pbcn space group. The structure is two-dimensional and consists of twelve nickel molecules; twelve phosphine molecules; and two Ni2SiP sheets oriented in the (0, 0, 1) direction. In each Ni2SiP sheet, there are two inequivalent Ni1+ sites. In the first Ni1+ site, Ni1+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. There are a spread of Ni–Si bond distances ranging from 2.26–2.58 Å. In the second Ni1+ site, Ni1+ is bonded in a 2-coordinate geometry to two equivalent Si4- atoms. There are one shorter (2.38 Å) and one longer (2.49 Å) Ni–Si bond lengths. Si4- is bonded in a 7-coordinate geometry to six Ni1+ and one P+0.20+ atom. The Si–P bond length is 2.84 Å. P+0.20+ is bonded in a 1-coordinate geometry to one Si4- atom.

Publication Date:
Other Number(s):
mp-582159
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; Si2Ni7P5; Ni-P-Si
OSTI Identifier:
1276952
DOI:
https://doi.org/10.17188/1276952

Citation Formats

The Materials Project. Materials Data on Si2Ni7P5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276952.
The Materials Project. Materials Data on Si2Ni7P5 by Materials Project. United States. doi:https://doi.org/10.17188/1276952
The Materials Project. 2020. "Materials Data on Si2Ni7P5 by Materials Project". United States. doi:https://doi.org/10.17188/1276952. https://www.osti.gov/servlets/purl/1276952. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1276952,
title = {Materials Data on Si2Ni7P5 by Materials Project},
author = {The Materials Project},
abstractNote = {(Ni)3(Ni2SiP)2(P)3 crystallizes in the orthorhombic Pbcn space group. The structure is two-dimensional and consists of twelve nickel molecules; twelve phosphine molecules; and two Ni2SiP sheets oriented in the (0, 0, 1) direction. In each Ni2SiP sheet, there are two inequivalent Ni1+ sites. In the first Ni1+ site, Ni1+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. There are a spread of Ni–Si bond distances ranging from 2.26–2.58 Å. In the second Ni1+ site, Ni1+ is bonded in a 2-coordinate geometry to two equivalent Si4- atoms. There are one shorter (2.38 Å) and one longer (2.49 Å) Ni–Si bond lengths. Si4- is bonded in a 7-coordinate geometry to six Ni1+ and one P+0.20+ atom. The Si–P bond length is 2.84 Å. P+0.20+ is bonded in a 1-coordinate geometry to one Si4- atom.},
doi = {10.17188/1276952},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}