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Title: Materials Data on ZnP3NO9 by Materials Project

Abstract

(Zn(PO3)3)2N2 crystallizes in the hexagonal P-6c2 space group. The structure is three-dimensional and consists of two ammonia molecules and one Zn(PO3)3 framework. In the Zn(PO3)3 framework, Zn2+ is bonded to six equivalent O2- atoms to form ZnO6 octahedra that share corners with six equivalent PO4 tetrahedra. All Zn–O bond lengths are 2.09 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent ZnO6 octahedra and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. There are a spread of P–O bond distances ranging from 1.50–1.62 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Zn2+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent P5+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1207409
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; ZnP3NO9; N-O-P-Zn
OSTI Identifier:
1689154
DOI:
https://doi.org/10.17188/1689154

Citation Formats

The Materials Project. Materials Data on ZnP3NO9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1689154.
The Materials Project. Materials Data on ZnP3NO9 by Materials Project. United States. doi:https://doi.org/10.17188/1689154
The Materials Project. 2020. "Materials Data on ZnP3NO9 by Materials Project". United States. doi:https://doi.org/10.17188/1689154. https://www.osti.gov/servlets/purl/1689154. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1689154,
title = {Materials Data on ZnP3NO9 by Materials Project},
author = {The Materials Project},
abstractNote = {(Zn(PO3)3)2N2 crystallizes in the hexagonal P-6c2 space group. The structure is three-dimensional and consists of two ammonia molecules and one Zn(PO3)3 framework. In the Zn(PO3)3 framework, Zn2+ is bonded to six equivalent O2- atoms to form ZnO6 octahedra that share corners with six equivalent PO4 tetrahedra. All Zn–O bond lengths are 2.09 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent ZnO6 octahedra and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. There are a spread of P–O bond distances ranging from 1.50–1.62 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Zn2+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent P5+ atoms.},
doi = {10.17188/1689154},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}