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

Title: Materials Data on Ni3P by Materials Project

Abstract

Ni3P crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are three inequivalent Ni1+ sites. In the first Ni1+ site, Ni1+ is bonded in a water-like geometry to two equivalent P3- atoms. There are one shorter (2.21 Å) and one longer (2.26 Å) Ni–P bond lengths. In the second Ni1+ site, Ni1+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent P3- atoms. There are a spread of Ni–P bond distances ranging from 2.21–2.35 Å. In the third Ni1+ site, Ni1+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing NiP4 tetrahedra. There are a spread of Ni–P bond distances ranging from 2.29–2.33 Å. P3- is bonded in a 9-coordinate geometry to nine Ni1+ atoms.

Publication Date:
Other Number(s):
mp-2296
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; Ni3P; Ni-P
OSTI Identifier:
1199115
DOI:
10.17188/1199115

Citation Formats

The Materials Project. Materials Data on Ni3P by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199115.
The Materials Project. Materials Data on Ni3P by Materials Project. United States. doi:10.17188/1199115.
The Materials Project. 2020. "Materials Data on Ni3P by Materials Project". United States. doi:10.17188/1199115. https://www.osti.gov/servlets/purl/1199115. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1199115,
title = {Materials Data on Ni3P by Materials Project},
author = {The Materials Project},
abstractNote = {Ni3P crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are three inequivalent Ni1+ sites. In the first Ni1+ site, Ni1+ is bonded in a water-like geometry to two equivalent P3- atoms. There are one shorter (2.21 Å) and one longer (2.26 Å) Ni–P bond lengths. In the second Ni1+ site, Ni1+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent P3- atoms. There are a spread of Ni–P bond distances ranging from 2.21–2.35 Å. In the third Ni1+ site, Ni1+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing NiP4 tetrahedra. There are a spread of Ni–P bond distances ranging from 2.29–2.33 Å. P3- is bonded in a 9-coordinate geometry to nine Ni1+ atoms.},
doi = {10.17188/1199115},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: