U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K3Ni(NO2)5 by Materials Project
Abstract
K3Ni(NO2)5 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.76–3.02 Å. In the second 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 2.86–3.18 Å. In the third 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 2.87–3.17 Å. Ni2+ is bonded in a 2-coordinate geometry to two O2- atoms. There are one shorter (2.15 Å) and one longer (2.16 Å) Ni–O bond lengths. There are five inequivalent N3+ sites. In the first N3+ site, N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.27 Å) N–O bond length. In the second N3+ site, N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.26 Å. In the third N3+ site, N3+ is bonded in amore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1223825
- 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; K3Ni(NO2)5; K-N-Ni-O
- OSTI Identifier:
- 1740406
- DOI:
- https://doi.org/10.17188/1740406
Citation Formats
The Materials Project. Materials Data on K3Ni(NO2)5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1740406.
The Materials Project. Materials Data on K3Ni(NO2)5 by Materials Project. United States. doi:https://doi.org/10.17188/1740406
The Materials Project. 2020.
"Materials Data on K3Ni(NO2)5 by Materials Project". United States. doi:https://doi.org/10.17188/1740406. https://www.osti.gov/servlets/purl/1740406. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1740406,
title = {Materials Data on K3Ni(NO2)5 by Materials Project},
author = {The Materials Project},
abstractNote = {K3Ni(NO2)5 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.76–3.02 Å. In the second 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 2.86–3.18 Å. In the third 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 2.87–3.17 Å. Ni2+ is bonded in a 2-coordinate geometry to two O2- atoms. There are one shorter (2.15 Å) and one longer (2.16 Å) Ni–O bond lengths. There are five inequivalent N3+ sites. In the first N3+ site, N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.27 Å) N–O bond length. In the second N3+ site, N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.26 Å. In the third N3+ site, N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.27 Å) and one longer (1.28 Å) N–O bond length. In the fourth N3+ site, N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.26 Å. In the fifth N3+ site, N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.26 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one N3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one N3+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one N3+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one N3+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one N3+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one N3+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to one K1+, one Ni2+, and one N3+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one N3+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one N3+ atom. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Ni2+, and one N3+ atom.},
doi = {10.17188/1740406},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}