Materials Data on K2Zn(H2N)4 by Materials Project

doi:10.17188/1287538

Title: Materials Data on K2Zn(H2N)4 by Materials Project

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Abstract

K2Zn(NH2)4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six N3- and seven H1+ atoms. There are a spread of K–N bond distances ranging from 2.84–3.08 Å. There are a spread of K–H bond distances ranging from 2.73–3.10 Å. In the second K1+ site, K1+ is bonded in a 1-coordinate geometry to five N3- and two H1+ atoms. There are a spread of K–N bond distances ranging from 2.85–3.04 Å. There are one shorter (2.82 Å) and one longer (2.99 Å) K–H bond lengths. Zn2+ is bonded in a tetrahedral geometry to four N3- atoms. There are a spread of Zn–N bond distances ranging from 2.07–2.09 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 Zn2+, and two 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 three K1+, one Zn2+, and two H1+ atoms. Both N–H bond lengths are 1.03 Å. In the third N3- site, N3- ismore »« less

Publication Date:: Thu Jul 23 04:00:00 UTC 2020

Other Number(s):: mp-722979

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-Zn; K2Zn(H2N)4; crystal structure

OSTI Identifier:: 1287538

DOI:: https://doi.org/10.17188/1287538

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                    Materials Data on K2Zn(H2N)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1287538.

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                    Materials Data on K2Zn(H2N)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1287538

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                    2020.  
"Materials Data on K2Zn(H2N)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1287538.  https://www.osti.gov/servlets/purl/1287538. Pub date:Thu Jul 23 04:00:00 UTC 2020

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@article{osti_1287538,

  title        = {Materials Data on K2Zn(H2N)4 by Materials Project},

  
  abstractNote = {K2Zn(NH2)4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six N3- and seven H1+ atoms. There are a spread of K–N bond distances ranging from 2.84–3.08 Å. There are a spread of K–H bond distances ranging from 2.73–3.10 Å. In the second K1+ site, K1+ is bonded in a 1-coordinate geometry to five N3- and two H1+ atoms. There are a spread of K–N bond distances ranging from 2.85–3.04 Å. There are one shorter (2.82 Å) and one longer (2.99 Å) K–H bond lengths. Zn2+ is bonded in a tetrahedral geometry to four N3- atoms. There are a spread of Zn–N bond distances ranging from 2.07–2.09 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 Zn2+, and two 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 three K1+, one Zn2+, and two H1+ atoms. Both N–H bond lengths are 1.03 Å. In the third N3- site, N3- is bonded in a distorted water-like geometry to three K1+, one Zn2+, 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 two K1+, one Zn2+, 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 one K1+ and one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and one N3- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and one N3- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and one N3- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and one N3- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and one N3- atom.},

  doi          = {10.17188/1287538},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 04:00:00 UTC 2020},

  month        = {Thu Jul 23 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1287538

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