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

Title: Materials Data on NiP2N2(O6F)2 by Materials Project

Abstract

Ni(NO4)2(PO2F)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four 14939-29-8 molecules and two Ni(NO4)2 clusters. In each Ni(NO4)2 cluster, Ni is bonded in a distorted octahedral geometry to six O atoms. There are a spread of Ni–O bond distances ranging from 1.85–2.59 Å. N is bonded in a bent 120 degrees geometry to two O atoms. Both N–O bond lengths are 1.22 Å. There are four inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one N atom. In the second O site, O is bonded in a 1-coordinate geometry to one Ni and one O atom. The O–O bond length is 1.33 Å. In the third O site, O is bonded in a 1-coordinate geometry to one Ni and one O atom. In the fourth O site, O is bonded in a distorted single-bond geometry to one Ni and one N atom.

Publication Date:
Other Number(s):
mp-1180704
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; NiP2N2(O6F)2; F-N-Ni-O-P
OSTI Identifier:
1752993
DOI:
https://doi.org/10.17188/1752993

Citation Formats

The Materials Project. Materials Data on NiP2N2(O6F)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1752993.
The Materials Project. Materials Data on NiP2N2(O6F)2 by Materials Project. United States. doi:https://doi.org/10.17188/1752993
The Materials Project. 2020. "Materials Data on NiP2N2(O6F)2 by Materials Project". United States. doi:https://doi.org/10.17188/1752993. https://www.osti.gov/servlets/purl/1752993. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1752993,
title = {Materials Data on NiP2N2(O6F)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ni(NO4)2(PO2F)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four 14939-29-8 molecules and two Ni(NO4)2 clusters. In each Ni(NO4)2 cluster, Ni is bonded in a distorted octahedral geometry to six O atoms. There are a spread of Ni–O bond distances ranging from 1.85–2.59 Å. N is bonded in a bent 120 degrees geometry to two O atoms. Both N–O bond lengths are 1.22 Å. There are four inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one N atom. In the second O site, O is bonded in a 1-coordinate geometry to one Ni and one O atom. The O–O bond length is 1.33 Å. In the third O site, O is bonded in a 1-coordinate geometry to one Ni and one O atom. In the fourth O site, O is bonded in a distorted single-bond geometry to one Ni and one N atom.},
doi = {10.17188/1752993},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}