U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on PN2O4F by Materials Project
Abstract
N2(PNO4F)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four ammonia molecules and four PNO4F clusters. In each PNO4F cluster, P5+ is bonded in a distorted trigonal pyramidal geometry to three O2- and one F1- atom. There is two shorter (1.47 Å) and one longer (2.25 Å) P–O bond length. The P–F bond length is 1.57 Å. N2+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.19 Å) and one longer (1.23 Å) N–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one P5+ and one N2+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one N2+ atom. F1- is bonded in a single-bond geometry to one P5+ atom.
- Publication Date:
- Other Number(s):
- mp-1203783
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; F-N-O-P; PN2O4F; crystal structure
- OSTI Identifier:
- 1698786
- DOI:
- https://doi.org/10.17188/1698786
Citation Formats
Materials Data on PN2O4F by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1698786.
Materials Data on PN2O4F by Materials Project. United States. doi:https://doi.org/10.17188/1698786
2019.
"Materials Data on PN2O4F by Materials Project". United States. doi:https://doi.org/10.17188/1698786. https://www.osti.gov/servlets/purl/1698786. Pub date:Fri Jan 11 23:00:00 EST 2019
@article{osti_1698786,
title = {Materials Data on PN2O4F by Materials Project},
abstractNote = {N2(PNO4F)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four ammonia molecules and four PNO4F clusters. In each PNO4F cluster, P5+ is bonded in a distorted trigonal pyramidal geometry to three O2- and one F1- atom. There is two shorter (1.47 Å) and one longer (2.25 Å) P–O bond length. The P–F bond length is 1.57 Å. N2+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.19 Å) and one longer (1.23 Å) N–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one P5+ and one N2+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one N2+ atom. F1- is bonded in a single-bond geometry to one P5+ atom.},
doi = {10.17188/1698786},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}