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Title: Materials Data on SiNi2P by Materials Project

Abstract

Ni2SiP crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Ni+2.50+ sites. In the first Ni+2.50+ site, Ni+2.50+ is bonded in a 6-coordinate geometry to four equivalent Si4- and two equivalent P1- atoms. There are a spread of Ni–Si bond distances ranging from 2.31–2.40 Å. There are one shorter (2.33 Å) and one longer (2.34 Å) Ni–P bond lengths. In the second Ni+2.50+ site, Ni+2.50+ is bonded in a 6-coordinate geometry to two equivalent Si4- and four equivalent P1- atoms. There are one shorter (2.30 Å) and one longer (2.32 Å) Ni–Si bond lengths. There are a spread of Ni–P bond distances ranging from 2.24–2.91 Å. Si4- is bonded in a 8-coordinate geometry to six Ni+2.50+, one Si4-, and one P1- atom. The Si–Si bond length is 2.60 Å. The Si–P bond length is 2.59 Å. P1- is bonded in a 7-coordinate geometry to six Ni+2.50+ and one Si4- atom.

Publication Date:
Other Number(s):
mp-510422
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; SiNi2P; Ni-P-Si
OSTI Identifier:
1262921
DOI:
https://doi.org/10.17188/1262921

Citation Formats

The Materials Project. Materials Data on SiNi2P by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1262921.
The Materials Project. Materials Data on SiNi2P by Materials Project. United States. doi:https://doi.org/10.17188/1262921
The Materials Project. 2017. "Materials Data on SiNi2P by Materials Project". United States. doi:https://doi.org/10.17188/1262921. https://www.osti.gov/servlets/purl/1262921. Pub date:Tue Jul 18 00:00:00 EDT 2017
@article{osti_1262921,
title = {Materials Data on SiNi2P by Materials Project},
author = {The Materials Project},
abstractNote = {Ni2SiP crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Ni+2.50+ sites. In the first Ni+2.50+ site, Ni+2.50+ is bonded in a 6-coordinate geometry to four equivalent Si4- and two equivalent P1- atoms. There are a spread of Ni–Si bond distances ranging from 2.31–2.40 Å. There are one shorter (2.33 Å) and one longer (2.34 Å) Ni–P bond lengths. In the second Ni+2.50+ site, Ni+2.50+ is bonded in a 6-coordinate geometry to two equivalent Si4- and four equivalent P1- atoms. There are one shorter (2.30 Å) and one longer (2.32 Å) Ni–Si bond lengths. There are a spread of Ni–P bond distances ranging from 2.24–2.91 Å. Si4- is bonded in a 8-coordinate geometry to six Ni+2.50+, one Si4-, and one P1- atom. The Si–Si bond length is 2.60 Å. The Si–P bond length is 2.59 Å. P1- is bonded in a 7-coordinate geometry to six Ni+2.50+ and one Si4- atom.},
doi = {10.17188/1262921},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}