U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K2Na(H2N)3 by Materials Project
Abstract
K2Na(NH2)3 crystallizes in the tetragonal P4_2/m space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a distorted trigonal pyramidal geometry to four equivalent N3- atoms. All K–N bond lengths are 2.97 Å. In the second K1+ site, K1+ is bonded in a 4-coordinate geometry to four equivalent H1+ atoms. All K–H bond lengths are 2.81 Å. In the third K1+ site, K1+ is bonded in a 10-coordinate geometry to four N3- and six H1+ atoms. There are two shorter (2.95 Å) and two longer (2.96 Å) K–N bond lengths. There are a spread of K–H bond distances ranging from 2.76–2.95 Å. Na1+ is bonded in a 3-coordinate geometry to three N3- atoms. There are two shorter (2.40 Å) and one longer (2.48 Å) Na–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted water-like geometry to two equivalent K1+, one Na1+, and two equivalent H1+ atoms. Both N–H bond lengths are 1.03 Å. In the second N3- site, N3- is bonded in a distorted water-like geometry to two K1+, one Na1+, and two H1+ atoms. Both N–H bondmore »
- Publication Date:
- Other Number(s):
- mp-866641
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; H-K-N-Na; K2Na(H2N)3; crystal structure
- OSTI Identifier:
- 1311639
- DOI:
- https://doi.org/10.17188/1311639
Citation Formats
Materials Data on K2Na(H2N)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1311639.
Materials Data on K2Na(H2N)3 by Materials Project. United States. doi:https://doi.org/10.17188/1311639
2020.
"Materials Data on K2Na(H2N)3 by Materials Project". United States. doi:https://doi.org/10.17188/1311639. https://www.osti.gov/servlets/purl/1311639. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1311639,
title = {Materials Data on K2Na(H2N)3 by Materials Project},
abstractNote = {K2Na(NH2)3 crystallizes in the tetragonal P4_2/m space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a distorted trigonal pyramidal geometry to four equivalent N3- atoms. All K–N bond lengths are 2.97 Å. In the second K1+ site, K1+ is bonded in a 4-coordinate geometry to four equivalent H1+ atoms. All K–H bond lengths are 2.81 Å. In the third K1+ site, K1+ is bonded in a 10-coordinate geometry to four N3- and six H1+ atoms. There are two shorter (2.95 Å) and two longer (2.96 Å) K–N bond lengths. There are a spread of K–H bond distances ranging from 2.76–2.95 Å. Na1+ is bonded in a 3-coordinate geometry to three N3- atoms. There are two shorter (2.40 Å) and one longer (2.48 Å) Na–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted water-like geometry to two equivalent K1+, one Na1+, and two equivalent H1+ atoms. Both N–H bond lengths are 1.03 Å. In the second N3- site, N3- is bonded in a distorted water-like geometry to two K1+, one Na1+, and two H1+ atoms. Both N–H bond lengths are 1.03 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to two K1+ and one N3- atom.},
doi = {10.17188/1311639},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}