Materials Data on KY(H2N)4 by Materials Project

doi:10.17188/1291143

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

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Abstract

KY(NH2)4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to four N3- and four H1+ atoms. There are a spread of K–N bond distances ranging from 2.90–2.95 Å. There are a spread of K–H bond distances ranging from 2.73–2.89 Å. Y3+ is bonded to six N3- atoms to form edge-sharing YN6 octahedra. There are a spread of Y–N bond distances ranging from 2.37–2.51 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted water-like geometry to two equivalent K1+, one Y3+, 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 two equivalent Y3+ 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 two equivalent K1+, one Y3+, 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 equivalent Y3+ and two H1+ atoms. Both N–H bond lengths are 1.03 Å. There are eight inequivalentmore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-21

Other Number(s):: mp-758742

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; KY(H2N)4; H-K-N-Y

OSTI Identifier:: 1291143

DOI:: https://doi.org/10.17188/1291143

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                    The Materials Project. Materials Data on KY(H2N)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1291143.

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                    The Materials Project. Materials Data on KY(H2N)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1291143

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                    The Materials Project. 2020.  
"Materials Data on KY(H2N)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1291143.  https://www.osti.gov/servlets/purl/1291143. Pub date:Tue Jul 21 00:00:00 EDT 2020

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@article{osti_1291143,

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

  author       = {The Materials Project},

  abstractNote = {KY(NH2)4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to four N3- and four H1+ atoms. There are a spread of K–N bond distances ranging from 2.90–2.95 Å. There are a spread of K–H bond distances ranging from 2.73–2.89 Å. Y3+ is bonded to six N3- atoms to form edge-sharing YN6 octahedra. There are a spread of Y–N bond distances ranging from 2.37–2.51 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted water-like geometry to two equivalent K1+, one Y3+, 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 two equivalent Y3+ 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 two equivalent K1+, one Y3+, 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 equivalent Y3+ 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 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 N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to 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 N3- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and one N3- atom.},

  doi          = {10.17188/1291143},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1291143

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