Materials Data on K2Mg(H2N)4 by Materials Project
Abstract
K2Mg(NH2)4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 1-coordinate geometry to five N3- and nine H1+ atoms. There are a spread of K–N bond distances ranging from 2.93–3.22 Å. There are a spread of K–H bond distances ranging from 2.76–3.09 Å. In the second K1+ site, K1+ is bonded in a 12-coordinate geometry to five N3- and seven H1+ atoms. There are a spread of K–N bond distances ranging from 2.87–3.01 Å. There are a spread of K–H bond distances ranging from 2.80–3.06 Å. Mg2+ is bonded in a tetrahedral geometry to four N3- atoms. There are a spread of Mg–N bond distances ranging from 2.07–2.12 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted water-like geometry to three K1+, one Mg2+, and two H1+ atoms. Both N–H bond lengths are 1.03 Å. In the second N3- site, N3- is bonded in a 3-coordinate geometry to two K1+, one Mg2+, and two H1+ atoms. Both N–H bond lengths are 1.02 Å. In the third N3- site, N3- is bonded in amore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-759183
- 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; K2Mg(H2N)4; H-K-Mg-N
- OSTI Identifier:
- 1291357
- DOI:
- https://doi.org/10.17188/1291357
Citation Formats
The Materials Project. Materials Data on K2Mg(H2N)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1291357.
The Materials Project. Materials Data on K2Mg(H2N)4 by Materials Project. United States. doi:https://doi.org/10.17188/1291357
The Materials Project. 2020.
"Materials Data on K2Mg(H2N)4 by Materials Project". United States. doi:https://doi.org/10.17188/1291357. https://www.osti.gov/servlets/purl/1291357. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1291357,
title = {Materials Data on K2Mg(H2N)4 by Materials Project},
author = {The Materials Project},
abstractNote = {K2Mg(NH2)4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 1-coordinate geometry to five N3- and nine H1+ atoms. There are a spread of K–N bond distances ranging from 2.93–3.22 Å. There are a spread of K–H bond distances ranging from 2.76–3.09 Å. In the second K1+ site, K1+ is bonded in a 12-coordinate geometry to five N3- and seven H1+ atoms. There are a spread of K–N bond distances ranging from 2.87–3.01 Å. There are a spread of K–H bond distances ranging from 2.80–3.06 Å. Mg2+ is bonded in a tetrahedral geometry to four N3- atoms. There are a spread of Mg–N bond distances ranging from 2.07–2.12 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted water-like geometry to three K1+, one Mg2+, and two H1+ atoms. Both N–H bond lengths are 1.03 Å. In the second N3- site, N3- is bonded in a 3-coordinate geometry to two K1+, one Mg2+, and two H1+ atoms. Both N–H bond lengths are 1.02 Å. In the third N3- site, N3- is bonded in a 2-coordinate geometry to two K1+, one Mg2+, and two H1+ atoms. Both N–H bond lengths are 1.03 Å. In the fourth N3- site, N3- is bonded in a distorted water-like geometry to three K1+, one Mg2+, and two H1+ atoms. Both N–H bond lengths are 1.03 Å. There are eight inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to two equivalent K1+ and one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to two K1+ and one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to two equivalent K1+ and one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to two equivalent K1+ and one N3- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to two equivalent K1+ and one N3- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to two equivalent K1+ and one N3- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to two K1+ and one N3- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to two K1+ and one N3- atom.},
doi = {10.17188/1291357},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}