Materials Data on Zn(N3O8)2 by Materials Project

doi:10.17188/1695386

Title: Materials Data on Zn(N3O8)2 by Materials Project

Dataset
Other Related Research

Abstract

ZnO8N2(NO2)4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four ammonia molecules; eight hydroxylamine, n-hydroxy- molecules; and two ZnO8 clusters. In each ZnO8 cluster, Zn2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Zn–O bond lengths are 1.87 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Zn2+ and one O2- atom. The O–O bond length is 1.32 Å. In the second O2- site, O2- is bonded in a distorted water-like geometry to two O2- atoms. There is one shorter (1.21 Å) and one longer (1.72 Å) O–O bond length. In the third O2- site, O2- is bonded in a distorted water-like geometry to two O2- atoms. In the fourth O2- site, O2- is bonded in a single-bond geometry to one O2- atom.

Publication Date:: 2020-05-01

Other Number(s):: mp-1178866

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; N-O-Zn; Zn(N3O8)2; crystal structure

OSTI Identifier:: 1695386

DOI:: https://doi.org/10.17188/1695386

Citation Formats


                    Materials Data on Zn(N3O8)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1695386.

Copy to clipboard


                    Materials Data on Zn(N3O8)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1695386

Copy to clipboard


                    2020.  
"Materials Data on Zn(N3O8)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1695386.  https://www.osti.gov/servlets/purl/1695386. Pub date:Fri May 01 04:00:00 UTC 2020

Copy to clipboard


                    
@article{osti_1695386,

  title        = {Materials Data on Zn(N3O8)2 by Materials Project},

  
  abstractNote = {ZnO8N2(NO2)4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four ammonia molecules; eight hydroxylamine, n-hydroxy- molecules; and two ZnO8 clusters. In each ZnO8 cluster, Zn2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Zn–O bond lengths are 1.87 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Zn2+ and one O2- atom. The O–O bond length is 1.32 Å. In the second O2- site, O2- is bonded in a distorted water-like geometry to two O2- atoms. There is one shorter (1.21 Å) and one longer (1.72 Å) O–O bond length. In the third O2- site, O2- is bonded in a distorted water-like geometry to two O2- atoms. In the fourth O2- site, O2- is bonded in a single-bond geometry to one O2- atom.},

  doi          = {10.17188/1695386},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1695386

Save / Share:

Export Metadata

Save to My Library

Similar records in DOE Data Explorer and OSTI.GOV collections:

Materials Data on Mn(N3O8)2 by Materials Project

Dataset

MnO8N2(NO2)4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four ammonia molecules; eight hydroxylamine, n-hydroxy- molecules; and two MnO8 clusters. In each MnO8 cluster, Mn2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 1.97–2.39 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Mn2+ and one O2- atom. The O–O bond length is 1.33 Å. In the second O2- site, O2- is bonded in a bent 120 degrees geometry tomore »« less
Materials Data on Mn(N3O8)2 by Materials Project

Dataset

Mn(NO6)2N2(NO2)2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four ammonia molecules; four nitrous acid molecules; and one Mn(NO6)2 sheet oriented in the (1, 0, 0) direction. In the Mn(NO6)2 sheet, Mn2+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 1.69–2.10 Å. N5+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.26 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry tomore »« less
Materials Data on Li3Rh(N3O8)2 by Materials Project

Dataset

RhLi3(N3O8)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two rhodium molecules and two Li3(N3O8)2 clusters. In each Li3(N3O8)2 cluster, there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.94–2.03 Å. In the second Li1+ site, Li1+ is bonded in an octahedral geometry to six O2- atoms. All Li–O bond lengths are 2.05 Å. There are three inequivalent N+4.33+ sites. In the first N+4.33+ site, N+4.33+ is bonded in a bentmore »« less
Materials Data on Mg(N3O8)2 by Materials Project

Dataset

MgO8N2(NO2)4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four ammonia molecules, eight nitrous acid molecules, and two MgO8 clusters. In each MgO8 cluster, Mg2+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.02–2.48 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Mg2+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mg2+ and one O2- atom. The O–Omore »« less
Materials Data on U2H12C2Se3(N3O8)2 by Materials Project

Dataset

U2Se3O16(CN3H6)2 crystallizes in the monoclinic P2 space group. The structure is two-dimensional and consists of four guanidinium molecules and one U2Se3O16 sheet oriented in the (0, 1, 0) direction. In the U2Se3O16 sheet, there are two inequivalent U6+ sites. In the first U6+ site, U6+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share corners with five SeO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.80–2.48 Å. In the second U6+ site, U6+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share corners with five SeO4more »« less

Similar Records