U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K2Ba(NO2)4 by Materials Project
Abstract
K2Ba(NO2)4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first 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 2.84–2.90 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 2.83–2.90 Å. There are four inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a hexagonal bipyramidal geometry to eight O2- atoms. There are four shorter (3.03 Å) and four longer (3.08 Å) Ba–O bond lengths. In the second Ba2+ site, Ba2+ is bonded in a hexagonal bipyramidal geometry to eight O2- atoms. There are four shorter (3.03 Å) and four longer (3.09 Å) Ba–O bond lengths. In the third Ba2+ site, Ba2+ is bonded in a hexagonal bipyramidal geometry to eight O2- atoms. There are four shorter (2.89 Å) and four longer (3.02 Å) Ba–O bond lengths. In the fourth Ba2+ site, Ba2+ is bonded in a hexagonal bipyramidal geometry to eight O2- atoms. There are four shorter (2.89 Å) and four longer (3.02more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-560282
- 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; K2Ba(NO2)4; Ba-K-N-O
- OSTI Identifier:
- 1271371
- DOI:
- https://doi.org/10.17188/1271371
Citation Formats
The Materials Project. Materials Data on K2Ba(NO2)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1271371.
The Materials Project. Materials Data on K2Ba(NO2)4 by Materials Project. United States. doi:https://doi.org/10.17188/1271371
The Materials Project. 2020.
"Materials Data on K2Ba(NO2)4 by Materials Project". United States. doi:https://doi.org/10.17188/1271371. https://www.osti.gov/servlets/purl/1271371. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1271371,
title = {Materials Data on K2Ba(NO2)4 by Materials Project},
author = {The Materials Project},
abstractNote = {K2Ba(NO2)4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first 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 2.84–2.90 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 2.83–2.90 Å. There are four inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a hexagonal bipyramidal geometry to eight O2- atoms. There are four shorter (3.03 Å) and four longer (3.08 Å) Ba–O bond lengths. In the second Ba2+ site, Ba2+ is bonded in a hexagonal bipyramidal geometry to eight O2- atoms. There are four shorter (3.03 Å) and four longer (3.09 Å) Ba–O bond lengths. In the third Ba2+ site, Ba2+ is bonded in a hexagonal bipyramidal geometry to eight O2- atoms. There are four shorter (2.89 Å) and four longer (3.02 Å) Ba–O bond lengths. In the fourth Ba2+ site, Ba2+ is bonded in a hexagonal bipyramidal geometry to eight O2- atoms. There are four shorter (2.89 Å) and four longer (3.02 Å) Ba–O bond lengths. There are eight 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 1.27 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 1.27 Å. In the third N3+ site, N3+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.27 Å. In the fourth N3+ site, N3+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.27 Å. In the fifth N3+ site, N3+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.27 Å. In the sixth N3+ site, N3+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.27 Å. In the seventh N3+ site, N3+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.27 Å. In the eighth N3+ site, N3+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.27 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two K1+, one Ba2+, and one N3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Ba2+, and one N3+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+, one Ba2+, and one N3+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+, one Ba2+, and one N3+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+, one Ba2+, and one N3+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+, one Ba2+, and one N3+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Ba2+, and one N3+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+, one Ba2+, and one N3+ atom.},
doi = {10.17188/1271371},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}
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