Materials Data on K5NO4 by Materials Project
Abstract
K5NO4 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one K5NO4 sheet oriented in the (0, 0, 1) direction. there are five inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a single-bond geometry to one O2- atom. The K–O bond length is 2.50 Å. In the second K1+ site, K1+ is bonded in a distorted trigonal planar geometry to three O2- atoms. There are two shorter (2.65 Å) and one longer (2.66 Å) K–O bond lengths. In the third K1+ site, K1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.70–3.06 Å. In the fourth K1+ site, K1+ is bonded to four O2- atoms to form distorted corner-sharing KO4 tetrahedra. There are a spread of K–O bond distances ranging from 2.59–2.85 Å. In the fifth K1+ site, K1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of K–O bond distances ranging from 2.62–2.96 Å. N3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.34–1.36 Å. There are four inequivalentmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-703272
- 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; K5NO4; K-N-O
- OSTI Identifier:
- 1285598
- DOI:
- https://doi.org/10.17188/1285598
Citation Formats
The Materials Project. Materials Data on K5NO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1285598.
The Materials Project. Materials Data on K5NO4 by Materials Project. United States. doi:https://doi.org/10.17188/1285598
The Materials Project. 2020.
"Materials Data on K5NO4 by Materials Project". United States. doi:https://doi.org/10.17188/1285598. https://www.osti.gov/servlets/purl/1285598. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1285598,
title = {Materials Data on K5NO4 by Materials Project},
author = {The Materials Project},
abstractNote = {K5NO4 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one K5NO4 sheet oriented in the (0, 0, 1) direction. there are five inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a single-bond geometry to one O2- atom. The K–O bond length is 2.50 Å. In the second K1+ site, K1+ is bonded in a distorted trigonal planar geometry to three O2- atoms. There are two shorter (2.65 Å) and one longer (2.66 Å) K–O bond lengths. In the third K1+ site, K1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.70–3.06 Å. In the fourth K1+ site, K1+ is bonded to four O2- atoms to form distorted corner-sharing KO4 tetrahedra. There are a spread of K–O bond distances ranging from 2.59–2.85 Å. In the fifth K1+ site, K1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of K–O bond distances ranging from 2.62–2.96 Å. N3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.34–1.36 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three K1+ and one N3+ atom. In the second O2- site, O2- is bonded to three K1+ and one N3+ atom to form distorted OK3N trigonal pyramids that share a cornercorner with one OK5 trigonal bipyramid and corners with two equivalent OK3N trigonal pyramids. In the third O2- site, O2- is bonded in a 5-coordinate geometry to four K1+ and one N3+ atom. In the fourth O2- site, O2- is bonded to five K1+ atoms to form distorted OK5 trigonal bipyramids that share corners with two equivalent OK5 trigonal bipyramids and a cornercorner with one OK3N trigonal pyramid.},
doi = {10.17188/1285598},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Jul 20 00:00:00 EDT 2020},
month = {Mon Jul 20 00:00:00 EDT 2020}
}