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Title: Materials Data on K4N2O5 by Materials Project

Abstract

K4N2O5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to seven O2- atoms to form distorted edge-sharing KO7 pentagonal bipyramids. There are a spread of K–O bond distances ranging from 2.60–3.06 Å. In the second K1+ site, K1+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.62 Å) and two longer (3.03 Å) K–O bond lengths. In the third K1+ site, K1+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.62 Å) and two longer (3.03 Å) K–O bond lengths. In the fourth K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.61–3.02 Å. There are two inequivalent N3+ sites. In the first N3+ site, N3+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.28 Å. In the second N3+ site, N3+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.28 Å. There are threemore » inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four K1+ and one N3+ atom. In the second O2- site, O2- is bonded to six K1+ atoms to form corner-sharing OK6 octahedra. The corner-sharing octahedral tilt angles are 0°. In the third O2- site, O2- is bonded in a distorted single-bond geometry to four K1+ and one N3+ atom.« less

Publication Date:
Other Number(s):
mp-752863
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; K4N2O5; K-N-O
OSTI Identifier:
1288832
DOI:
https://doi.org/10.17188/1288832

Citation Formats

The Materials Project. Materials Data on K4N2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1288832.
The Materials Project. Materials Data on K4N2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1288832
The Materials Project. 2020. "Materials Data on K4N2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1288832. https://www.osti.gov/servlets/purl/1288832. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1288832,
title = {Materials Data on K4N2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {K4N2O5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to seven O2- atoms to form distorted edge-sharing KO7 pentagonal bipyramids. There are a spread of K–O bond distances ranging from 2.60–3.06 Å. In the second K1+ site, K1+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.62 Å) and two longer (3.03 Å) K–O bond lengths. In the third K1+ site, K1+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.62 Å) and two longer (3.03 Å) K–O bond lengths. In the fourth K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.61–3.02 Å. There are two inequivalent N3+ sites. In the first N3+ site, N3+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.28 Å. In the second N3+ site, N3+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.28 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four K1+ and one N3+ atom. In the second O2- site, O2- is bonded to six K1+ atoms to form corner-sharing OK6 octahedra. The corner-sharing octahedral tilt angles are 0°. In the third O2- site, O2- is bonded in a distorted single-bond geometry to four K1+ and one N3+ atom.},
doi = {10.17188/1288832},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}