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Title: Materials Data on K3P6N11 by Materials Project

Abstract

K3P6N11 crystallizes in the cubic P4_132 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 9-coordinate geometry to nine N3- atoms. There are a spread of K–N bond distances ranging from 2.78–3.48 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are two shorter (3.13 Å) and six longer (3.31 Å) K–N bond lengths. P5+ is bonded to four N3- atoms to form corner-sharing PN4 tetrahedra. There are a spread of P–N bond distances ranging from 1.60–1.72 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to one K1+ and three equivalent P5+ atoms. In the second N3- site, N3- is bonded in a water-like geometry to four K1+ and two equivalent P5+ atoms. In the third N3- site, N3- is bonded in a 2-coordinate geometry to two equivalent K1+ and two equivalent P5+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-14565
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; K3P6N11; K-N-P
OSTI Identifier:
1190731
DOI:
10.17188/1190731

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on K3P6N11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1190731.
Persson, Kristin, & Project, Materials. Materials Data on K3P6N11 by Materials Project. United States. doi:10.17188/1190731.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on K3P6N11 by Materials Project". United States. doi:10.17188/1190731. https://www.osti.gov/servlets/purl/1190731. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1190731,
title = {Materials Data on K3P6N11 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {K3P6N11 crystallizes in the cubic P4_132 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 9-coordinate geometry to nine N3- atoms. There are a spread of K–N bond distances ranging from 2.78–3.48 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are two shorter (3.13 Å) and six longer (3.31 Å) K–N bond lengths. P5+ is bonded to four N3- atoms to form corner-sharing PN4 tetrahedra. There are a spread of P–N bond distances ranging from 1.60–1.72 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to one K1+ and three equivalent P5+ atoms. In the second N3- site, N3- is bonded in a water-like geometry to four K1+ and two equivalent P5+ atoms. In the third N3- site, N3- is bonded in a 2-coordinate geometry to two equivalent K1+ and two equivalent P5+ atoms.},
doi = {10.17188/1190731},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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