Materials Data on NpClO10 by Materials Project

doi:10.17188/1699690

Title: Materials Data on NpClO10 by Materials Project

Dataset
Other Related Research

Abstract

NpO6ClO4 crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of two ClO4 clusters and two NpO6 clusters. In each ClO4 cluster, there are four inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.43 Å. In the second O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.44 Å. In the third O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.49 Å. In the fourth O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.49 Å. Cl is bonded in a tetrahedral geometry to four O atoms. In each NpO6 cluster, Np is bonded in an octahedral geometry to six O atoms. There are a spread of Np–O bond distances ranging from 1.82–1.95 Å. There are six inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Np atom. In the second O site, O is bonded in a single-bond geometry to one Np atom.more »« less

Publication Date:: 2019-01-11

Other Number(s):: mp-1192766

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; Cl-Np-O; NpClO10; crystal structure

OSTI Identifier:: 1699690

DOI:: https://doi.org/10.17188/1699690

Citation Formats


                    Materials Data on NpClO10 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1699690.

Copy to clipboard


                    Materials Data on NpClO10 by Materials Project.  United States.  doi:https://doi.org/10.17188/1699690

Copy to clipboard


                    2019.  
"Materials Data on NpClO10 by Materials Project".  United States.  doi:https://doi.org/10.17188/1699690.  https://www.osti.gov/servlets/purl/1699690. Pub date:Fri Jan 11 04:00:00 UTC 2019

Copy to clipboard


                    
@article{osti_1699690,

  title        = {Materials Data on NpClO10 by Materials Project},

  
  abstractNote = {NpO6ClO4 crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of two ClO4 clusters and two NpO6 clusters. In each ClO4 cluster, there are four inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.43 Å. In the second O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.44 Å. In the third O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.49 Å. In the fourth O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.49 Å. Cl is bonded in a tetrahedral geometry to four O atoms. In each NpO6 cluster, Np is bonded in an octahedral geometry to six O atoms. There are a spread of Np–O bond distances ranging from 1.82–1.95 Å. There are six inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Np atom. In the second O site, O is bonded in a single-bond geometry to one Np atom. In the third O site, O is bonded in a single-bond geometry to one Np atom. In the fourth O site, O is bonded in a single-bond geometry to one Np atom. In the fifth O site, O is bonded in a single-bond geometry to one Np atom. In the sixth O site, O is bonded in a single-bond geometry to one Np atom.},

  doi          = {10.17188/1699690},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1699690

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Be by Materials Project

Dataset

Be is beta Np structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Be is bonded in a 11-coordinate geometry to eleven equivalent Be atoms. There are a spread of Be–Be bond distances ranging from 2.14–2.28 Å.
Materials Data on As by Materials Project

Dataset

As is alpha Po structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. As is bonded to six equivalent As atoms to form a mixture of edge and corner-sharing AsAs6 octahedra. The corner-sharing octahedral tilt angles are 0°. All As–As bond lengths are 2.74 Å.
Materials Data on As by Materials Project

Dataset

As is alpha As structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three As sheets oriented in the (0, 0, 1) direction. As is bonded in a 3-coordinate geometry to three equivalent As atoms. All As–As bond lengths are 2.56 Å.
Materials Data on Be by Materials Project

Dataset

Be is Tungsten structured and crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Be is bonded in a body-centered cubic geometry to eight equivalent Be atoms. All Be–Be bond lengths are 2.17 Å.
Materials Data on NO by Materials Project

Dataset

NO is alpha carbon monoxide-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four nitroxyl molecules. N is bonded in a single-bond geometry to one O atom. The N–O bond length is 1.17 Å. O is bonded in a single-bond geometry to one N atom.

Similar Records