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Title: Materials Data on K2P3NO12 by Materials Project

Abstract

(K2(PO4)3)2N2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional and consists of four ammonia molecules and one K2(PO4)3 framework. In the K2(PO4)3 framework, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.81–2.99 Å. There are two inequivalent P sites. In the first P site, P is bonded in a tetrahedral geometry to four O atoms. There is two shorter (1.54 Å) and two longer (1.55 Å) P–O bond length. In the second P site, P is bonded in a tetrahedral geometry to four equivalent O atoms. All P–O bond lengths are 1.55 Å. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one K and one P atom. In the second O site, O is bonded in a distorted single-bond geometry to one K and one P atom. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent K and one P atom.

Authors:
Publication Date:
Other Number(s):
mp-1224262
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; K2P3NO12; K-N-O-P
OSTI Identifier:
1744553
DOI:
https://doi.org/10.17188/1744553

Citation Formats

The Materials Project. Materials Data on K2P3NO12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744553.
The Materials Project. Materials Data on K2P3NO12 by Materials Project. United States. doi:https://doi.org/10.17188/1744553
The Materials Project. 2020. "Materials Data on K2P3NO12 by Materials Project". United States. doi:https://doi.org/10.17188/1744553. https://www.osti.gov/servlets/purl/1744553. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1744553,
title = {Materials Data on K2P3NO12 by Materials Project},
author = {The Materials Project},
abstractNote = {(K2(PO4)3)2N2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional and consists of four ammonia molecules and one K2(PO4)3 framework. In the K2(PO4)3 framework, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.81–2.99 Å. There are two inequivalent P sites. In the first P site, P is bonded in a tetrahedral geometry to four O atoms. There is two shorter (1.54 Å) and two longer (1.55 Å) P–O bond length. In the second P site, P is bonded in a tetrahedral geometry to four equivalent O atoms. All P–O bond lengths are 1.55 Å. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one K and one P atom. In the second O site, O is bonded in a distorted single-bond geometry to one K and one P atom. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent K and one P atom.},
doi = {10.17188/1744553},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}