Materials Data on H8CN2(ClO5)2 by Materials Project

doi:10.17188/1183998

Title: Materials Data on H8CN2(ClO5)2 by Materials Project

Dataset
Other Related Research

Abstract

CH8(NO)2(ClO4)2 crystallizes in the orthorhombic Pbcn space group. The structure is zero-dimensional and consists of four [methanediylbis(oxy)]diammonium molecules and eight ClO4 clusters. In each ClO4 cluster, there are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.46 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.44 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.48 Å. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.47 Å. Cl1- is bonded in a tetrahedral geometry to four O2- atoms.

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-560730

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; H8CN2(ClO5)2; C-Cl-H-N-O

OSTI Identifier:: 1183998

DOI:: https://doi.org/10.17188/1183998

Citation Formats


                    The Materials Project. Materials Data on H8CN2(ClO5)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1183998.

Copy to clipboard


                    The Materials Project. Materials Data on H8CN2(ClO5)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1183998

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on H8CN2(ClO5)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1183998.  https://www.osti.gov/servlets/purl/1183998. Pub date:Wed Apr 29 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1183998,

  title        = {Materials Data on H8CN2(ClO5)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CH8(NO)2(ClO4)2 crystallizes in the orthorhombic Pbcn space group. The structure is zero-dimensional and consists of four [methanediylbis(oxy)]diammonium molecules and eight ClO4 clusters. In each ClO4 cluster, there are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.46 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.44 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.48 Å. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.47 Å. Cl1- is bonded in a tetrahedral geometry to four O2- atoms.},

  doi          = {10.17188/1183998},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1183998

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Re2SnC10(ClO5)2 by Materials Project

Dataset The Materials Project

ReCl2ReCO2SnC(CO)8 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four 7440-31-5 molecules, four dichlororhenium molecules, thirty-two formaldehyde molecules, four methane molecules, and four ReCO2 clusters. In each ReCO2 cluster, Re5+ is bonded in a distorted single-bond geometry to two O2- atoms. There are one shorter (1.74 Å) and one longer (2.29 Å) Re–O bond lengths. C+0.80+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.22 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to onemore »« less
Materials Data on CuH8(ClO5)2 by Materials Project

Dataset The Materials Project

CuH8(O5Cl)2 crystallizes in the orthorhombic Pbca space group. The structure is one-dimensional and consists of four CuH8(O5Cl)2 ribbons oriented in the (1, 0, 0) direction. Cu is bonded in an octahedral geometry to six O atoms. There are a spread of Cu–O bond distances ranging from 1.97–2.47 Å. There are four inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to two O atoms. There is one shorter (1.00 Å) and one longer (1.71 Å) H–O bond length. In the second H site, H is bonded in a single-bond geometry to one O atom.more »« less
Materials Data on MnCuH10Se2(ClO5)2 by Materials Project

Dataset The Materials Project

MnCuH10Se2(O5Cl)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mn7+ is bonded in an octahedral geometry to four O2- and two equivalent Cl1- atoms. There are a spread of Mn–O bond distances ranging from 2.22–2.31 Å. Both Mn–Cl bond lengths are 2.58 Å. Cu1+ is bonded in a distorted square co-planar geometry to four O2- and two equivalent Cl1- atoms. There is two shorter (1.96 Å) and two longer (2.02 Å) Cu–O bond length. Both Cu–Cl bond lengths are 2.91 Å. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in amore »« less
Materials Data on MgH12(ClO5)2 by Materials Project

Dataset The Materials Project

MgH12(O5Cl)2 crystallizes in the tetragonal P4_2/nmc space group. The structure is two-dimensional and consists of two MgH12(O5Cl)2 sheets oriented in the (0, 0, 1) direction. Mg is bonded in an octahedral geometry to six O atoms. There are four shorter (2.08 Å) and two longer (2.09 Å) Mg–O bond lengths. There are two inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. In the second H site, H is bonded in a single-bond geometry to two O atoms. There is one shorter (0.99more »« less
Materials Data on ScH3(ClO5)2 by Materials Project

Dataset The Materials Project

ScH3(O5Cl)2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one ScH3(O5Cl)2 sheet oriented in the (-1, 0, 2) direction. Sc is bonded to six O atoms to form ScO6 octahedra that share corners with three ClO4 tetrahedra and an edgeedge with one ScO6 octahedra. There are a spread of Sc–O bond distances ranging from 2.04–2.20 Å. There are three inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. In the second H site, H is bonded inmore »« less

Similar Records