Materials Data on NaAl2H8(ClO2)4 by Materials Project

doi:10.17188/1677237

Title: Materials Data on NaAl2H8(ClO2)4 by Materials Project

Dataset
Other Related Research

Abstract

NaH8(Al(O2Cl)2)2 crystallizes in the tetragonal P4/nmm space group. The structure is zero-dimensional and consists of four Al(O2Cl)2 clusters and two NaH8 clusters. In each Al(O2Cl)2 cluster, Al is bonded in an octahedral geometry to four equivalent O and two equivalent Cl atoms. All Al–O bond lengths are 2.08 Å. Both Al–Cl bond lengths are 2.15 Å. O is bonded in a distorted single-bond geometry to one Al atom. Cl is bonded in a single-bond geometry to one Al atom. In each NaH8 cluster, Na is bonded in a 8-coordinate geometry to eight equivalent H atoms. All Na–H bond lengths are 2.19 Å. H is bonded in a distorted L-shaped geometry to one Na and one H atom. The H–H bond length is 0.75 Å.

Publication Date:: 2019-01-12

Other Number(s):: mp-1211139

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; Al-Cl-H-Na-O; NaAl2H8(ClO2)4; crystal structure

OSTI Identifier:: 1677237

DOI:: https://doi.org/10.17188/1677237

Citation Formats


                    Materials Data on NaAl2H8(ClO2)4 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1677237.

Copy to clipboard


                    Materials Data on NaAl2H8(ClO2)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1677237

Copy to clipboard


                    2019.  
"Materials Data on NaAl2H8(ClO2)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1677237.  https://www.osti.gov/servlets/purl/1677237. Pub date:Sat Jan 12 04:00:00 UTC 2019

Copy to clipboard


                    
@article{osti_1677237,

  title        = {Materials Data on NaAl2H8(ClO2)4 by Materials Project},

  
  abstractNote = {NaH8(Al(O2Cl)2)2 crystallizes in the tetragonal P4/nmm space group. The structure is zero-dimensional and consists of four Al(O2Cl)2 clusters and two NaH8 clusters. In each Al(O2Cl)2 cluster, Al is bonded in an octahedral geometry to four equivalent O and two equivalent Cl atoms. All Al–O bond lengths are 2.08 Å. Both Al–Cl bond lengths are 2.15 Å. O is bonded in a distorted single-bond geometry to one Al atom. Cl is bonded in a single-bond geometry to one Al atom. In each NaH8 cluster, Na is bonded in a 8-coordinate geometry to eight equivalent H atoms. All Na–H bond lengths are 2.19 Å. H is bonded in a distorted L-shaped geometry to one Na and one H atom. The H–H bond length is 0.75 Å.},

  doi          = {10.17188/1677237},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1677237

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Fe2P3C8N3(ClO2)4 by Materials Project

Dataset

(Fe(CO)4)2P3N3Cl4 crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of eight Fe(CO)4 clusters and four P3N3Cl4 clusters. In four of the Fe(CO)4 clusters, Fe3+ is bonded in a distorted see-saw-like geometry to four C1+ atoms. There are a spread of Fe–C bond distances ranging from 1.78–1.83 Å. There are four inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a linear geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C1+ site, C1+ is bonded in a distorted linear geometry to one Fe3+more »« less
Materials Data on CsCoH18N6(ClO2)4 by Materials Project

Dataset

CsCoN6H18(O2Cl)4 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one CsCoN6H18(O2Cl)4 sheet oriented in the (0, 0, 1) direction. Cs1+ is bonded in a body-centered cubic geometry to six O2- and two Cl1- atoms. There are three shorter (3.40 Å) and three longer (3.51 Å) Cs–O bond lengths. There are one shorter (3.26 Å) and one longer (3.78 Å) Cs–Cl bond lengths. Co3+ is bonded to three N+0.33- and one O2- atom to form distorted CoN3O trigonal pyramids that share a cornercorner with one ClO4 tetrahedra. There is two shorter (1.85 Å) and onemore »« less
Materials Data on CsH18RuN6(ClO2)4 by Materials Project

Dataset

Cs(O2Cl)4Ru(NH3)6 crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three Ru(NH3)6 clusters and three Cs(O2Cl)4 sheets oriented in the (0, 0, 1) direction. In each Ru(NH3)6 cluster, Ru5+ is bonded in an octahedral geometry to six equivalent N+0.67- atoms. All Ru–N bond lengths are 2.13 Å. N+0.67- is bonded in a distorted trigonal non-coplanar geometry to one Ru5+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N+0.67- atom. In the secondmore »« less
Materials Data on KH18RuN6(ClO2)4 by Materials Project

Dataset

K(O2Cl)4Ru(NH3)6 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Ru(NH3)6 clusters and three K(O2Cl)4 sheets oriented in the (0, 0, 1) direction. In each Ru(NH3)6 cluster, Ru5+ is bonded in an octahedral geometry to six equivalent N+0.67- atoms. All Ru–N bond lengths are 2.12 Å. N+0.67- is bonded in a distorted trigonal non-coplanar geometry to one Ru5+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N+0.67- atom. In the secondmore »« less
Materials Data on RbH18RuN6(ClO2)4 by Materials Project

Dataset

Rb(O2Cl)4Ru(NH3)6 crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three Ru(NH3)6 clusters and three Rb(O2Cl)4 sheets oriented in the (0, 0, 1) direction. In each Ru(NH3)6 cluster, Ru5+ is bonded in an octahedral geometry to six equivalent N+0.67- atoms. All Ru–N bond lengths are 2.13 Å. N+0.67- is bonded in a distorted trigonal non-coplanar geometry to one Ru5+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N+0.67- atom. In the secondmore »« less

Similar Records