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Title: Materials Data on Si3NiP4 by Materials Project

Abstract

NiSi3P4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional and consists of two nickel molecules and one Si3P4 framework. In the Si3P4 framework, there are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded to four equivalent P+2.50+ atoms to form corner-sharing SiP4 tetrahedra. All Si–P bond lengths are 2.29 Å. In the second Si4- site, Si4- is bonded to four equivalent P+2.50+ atoms to form corner-sharing SiP4 tetrahedra. All Si–P bond lengths are 2.27 Å. P+2.50+ is bonded in a trigonal non-coplanar geometry to three Si4- atoms.

Publication Date:
Other Number(s):
mp-8311
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; Si3NiP4; Ni-P-Si
OSTI Identifier:
1308029
DOI:
https://doi.org/10.17188/1308029

Citation Formats

The Materials Project. Materials Data on Si3NiP4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1308029.
The Materials Project. Materials Data on Si3NiP4 by Materials Project. United States. doi:https://doi.org/10.17188/1308029
The Materials Project. 2020. "Materials Data on Si3NiP4 by Materials Project". United States. doi:https://doi.org/10.17188/1308029. https://www.osti.gov/servlets/purl/1308029. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1308029,
title = {Materials Data on Si3NiP4 by Materials Project},
author = {The Materials Project},
abstractNote = {NiSi3P4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional and consists of two nickel molecules and one Si3P4 framework. In the Si3P4 framework, there are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded to four equivalent P+2.50+ atoms to form corner-sharing SiP4 tetrahedra. All Si–P bond lengths are 2.29 Å. In the second Si4- site, Si4- is bonded to four equivalent P+2.50+ atoms to form corner-sharing SiP4 tetrahedra. All Si–P bond lengths are 2.27 Å. P+2.50+ is bonded in a trigonal non-coplanar geometry to three Si4- atoms.},
doi = {10.17188/1308029},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}