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

Title: Materials Data on PH6NO4 by Materials Project

Abstract

NH4H2PO4 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional and consists of eight ammonium molecules and one H2PO4 framework. In the H2PO4 framework, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.53 Å) and two longer (1.59 Å) P–O bond length. H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.06 Å) and one longer (1.43 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one H1+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one H1+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1220029
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; PH6NO4; H-N-O-P
OSTI Identifier:
1741927
DOI:
https://doi.org/10.17188/1741927

Citation Formats

The Materials Project. Materials Data on PH6NO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1741927.
The Materials Project. Materials Data on PH6NO4 by Materials Project. United States. doi:https://doi.org/10.17188/1741927
The Materials Project. 2020. "Materials Data on PH6NO4 by Materials Project". United States. doi:https://doi.org/10.17188/1741927. https://www.osti.gov/servlets/purl/1741927. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1741927,
title = {Materials Data on PH6NO4 by Materials Project},
author = {The Materials Project},
abstractNote = {NH4H2PO4 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional and consists of eight ammonium molecules and one H2PO4 framework. In the H2PO4 framework, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.53 Å) and two longer (1.59 Å) P–O bond length. H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.06 Å) and one longer (1.43 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one H1+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one H1+ atom.},
doi = {10.17188/1741927},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}