Materials Data on ZnH8(NO2)6 by Materials Project

doi:10.17188/1742166

Title: Materials Data on ZnH8(NO2)6 by Materials Project

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Abstract

Zn(NO3)4(NH4)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of eight ammonium molecules and four Zn(NO3)4 clusters. In two of the Zn(NO3)4 clusters, Zn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Zn–O bond distances ranging from 2.06–2.36 Å. There are four inequivalent N+2.33+ sites. In the first N+2.33+ site, N+2.33+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.25–1.30 Å. In the second N+2.33+ site, N+2.33+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.24–1.29 Å. In the third N+2.33+ site, N+2.33+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.23–1.30 Å. In the fourth N+2.33+ site, N+2.33+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.24–1.33 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N+2.33+ atom. In the second O2- site,more »« less

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1205200

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; ZnH8(NO2)6; H-N-O-Zn

OSTI Identifier:: 1742166

DOI:: https://doi.org/10.17188/1742166

Citation Formats


                    The Materials Project. Materials Data on ZnH8(NO2)6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1742166.

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                    The Materials Project. Materials Data on ZnH8(NO2)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1742166

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                    The Materials Project. 2020.  
"Materials Data on ZnH8(NO2)6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1742166.  https://www.osti.gov/servlets/purl/1742166. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1742166,

  title        = {Materials Data on ZnH8(NO2)6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Zn(NO3)4(NH4)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of eight ammonium molecules and four Zn(NO3)4 clusters. In two of the Zn(NO3)4 clusters, Zn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Zn–O bond distances ranging from 2.06–2.36 Å. There are four inequivalent N+2.33+ sites. In the first N+2.33+ site, N+2.33+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.25–1.30 Å. In the second N+2.33+ site, N+2.33+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.24–1.29 Å. In the third N+2.33+ site, N+2.33+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.23–1.30 Å. In the fourth N+2.33+ site, N+2.33+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.24–1.33 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N+2.33+ atom. In the second O2- site, O2- is bonded in an L-shaped geometry to one Zn2+ and one N+2.33+ atom. In the third O2- site, O2- is bonded in a distorted L-shaped geometry to one Zn2+ and one N+2.33+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one N+2.33+ atom. In the fifth O2- site, O2- is bonded in a distorted L-shaped geometry to one Zn2+ and one N+2.33+ atom. In the sixth O2- site, O2- is bonded in a water-like geometry to one Zn2+ and one N+2.33+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one N+2.33+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one N+2.33+ atom. In the ninth O2- site, O2- is bonded in a bent 120 degrees geometry to one Zn2+ and one N+2.33+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one N+2.33+ atom. In the eleventh O2- site, O2- is bonded in a single-bond geometry to one N+2.33+ atom. In the twelfth O2- site, O2- is bonded in a bent 120 degrees geometry to one Zn2+ and one N+2.33+ atom. In two of the Zn(NO3)4 clusters, Zn2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Zn–O bond distances ranging from 2.02–2.78 Å. There are four inequivalent N+2.33+ sites. In the first N+2.33+ site, N+2.33+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.24–1.31 Å. In the second N+2.33+ site, N+2.33+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.25 Å) and one longer (1.30 Å) N–O bond length. In the third N+2.33+ site, N+2.33+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.24–1.30 Å. In the fourth N+2.33+ site, N+2.33+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.24–1.30 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted L-shaped geometry to one Zn2+ and one N+2.33+ atom. In the second O2- site, O2- is bonded in an L-shaped geometry to one Zn2+ and one N+2.33+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one N+2.33+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Zn2+ and one N+2.33+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Zn2+ and one N+2.33+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one N+2.33+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one Zn2+ and one N+2.33+ atom. In the eighth O2- site, O2- is bonded in a water-like geometry to one Zn2+ and one N+2.33+ atom. In the ninth O2- site, O2- is bonded in a water-like geometry to one Zn2+ and one N+2.33+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one N+2.33+ atom. In the eleventh O2- site, O2- is bonded in a distorted single-bond geometry to one Zn2+ and one N+2.33+ atom. In the twelfth O2- site, O2- is bonded in a single-bond geometry to one N+2.33+ atom.},

  doi          = {10.17188/1742166},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1742166

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