Materials Data on K2Mg(H2N)4 by Materials Project

doi:10.17188/1291357

Title: Materials Data on K2Mg(H2N)4 by Materials Project

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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 »« less

Authors:: The Materials Project

Publication Date:: 2020-04-29

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.

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                    The Materials Project. Materials Data on K2Mg(H2N)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1291357

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                    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

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@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}

}

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DOI: https://doi.org/10.17188/1291357

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