Materials Data on KAlH6(OF3)2 by Materials Project

doi:10.17188/1287600

Title: Materials Data on KAlH6(OF3)2 by Materials Project

Dataset
Other Related Research

Abstract

K(H3O)2AlF6 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to two equivalent O2- and six equivalent F1- atoms. Both K–O bond lengths are 2.99 Å. All K–F bond lengths are 2.75 Å. Al3+ is bonded in an octahedral geometry to six equivalent F1- atoms. All Al–F bond lengths are 1.84 Å. H1+ is bonded in a linear geometry to one O2- and one F1- atom. The H–O bond length is 1.04 Å. The H–F bond length is 1.43 Å. O2- is bonded in a trigonal non-coplanar geometry to one K1+ and three equivalent H1+ atoms. F1- is bonded in a distorted bent 120 degrees geometry to one K1+, one Al3+, and one H1+ atom.

Publication Date:: Wed Apr 29 04:00:00 UTC 2020

Other Number(s):: mp-723378

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-F-H-K-O; KAlH6(OF3)2; crystal structure

OSTI Identifier:: 1287600

DOI:: https://doi.org/10.17188/1287600

Citation Formats


                    Materials Data on KAlH6(OF3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1287600.

Copy to clipboard


                    Materials Data on KAlH6(OF3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1287600

Copy to clipboard


                    2020.  
"Materials Data on KAlH6(OF3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1287600.  https://www.osti.gov/servlets/purl/1287600. Pub date:Wed Apr 29 04:00:00 UTC 2020

Copy to clipboard


                    
@article{osti_1287600,

  title        = {Materials Data on KAlH6(OF3)2 by Materials Project},

  
  abstractNote = {K(H3O)2AlF6 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to two equivalent O2- and six equivalent F1- atoms. Both K–O bond lengths are 2.99 Å. All K–F bond lengths are 2.75 Å. Al3+ is bonded in an octahedral geometry to six equivalent F1- atoms. All Al–F bond lengths are 1.84 Å. H1+ is bonded in a linear geometry to one O2- and one F1- atom. The H–O bond length is 1.04 Å. The H–F bond length is 1.43 Å. O2- is bonded in a trigonal non-coplanar geometry to one K1+ and three equivalent H1+ atoms. F1- is bonded in a distorted bent 120 degrees geometry to one K1+, one Al3+, and one H1+ atom.},

  doi          = {10.17188/1287600},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 04:00:00 UTC 2020},

  month        = {Wed Apr 29 04:00:00 UTC 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1287600

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on SbH(OF3)2 by Materials Project

Dataset

SbH(OF3)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two SbH(OF3)2 clusters. Sb is bonded in a distorted octahedral geometry to six F atoms. There are a spread of Sb–F bond distances ranging from 1.89–2.24 Å. H is bonded in a distorted linear geometry to one O and one F atom. The H–O bond length is 1.61 Å. The H–F bond length is 0.98 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted water-like geometry to one H and one O atom. The O–O bondmore »« less
Materials Data on Ru(OF3)2 by Materials Project

Dataset

RuF6O2 is Tetraauricupride structured and crystallizes in the cubic Ia-3 space group. The structure is zero-dimensional and consists of eight 13693-08-8 molecules and eight oxygen molecules.
Materials Data on GaH15N4(OF3)2 by Materials Project

Dataset

GaH7(N2F3)2(H2)2(H2O)2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of eight hydrogen molecules; eight water molecules; and two GaH7(N2F3)2 ribbons oriented in the (1, 1, 0) direction. In each GaH7(N2F3)2 ribbon, Ga3+ is bonded in a 4-coordinate geometry to four F1- atoms. There are two shorter (2.47 Å) and two longer (2.70 Å) Ga–F bond lengths. There are two inequivalent N2- sites. In the first N2- site, N2- is bonded in a distorted single-bond geometry to one N2- atom. The N–N bond length is 1.17 Å. In the second N2- site, N2- is bonded inmore »« less
Materials Data on SiH10C2N4(OF3)2 by Materials Project

Dataset

SiC2N4H10(OF3)2 crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of four SiC2N4H10(OF3)2 clusters. Si4+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Si–F bond distances ranging from 1.71–1.73 Å. C4+ is bonded in a trigonal planar geometry to two N3- and one O2- atom. Both C–N bond lengths are 1.33 Å. The C–O bond length is 1.32 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. Both N–H bond lengthsmore »« less
Materials Data on Sb(OF3)2 by Materials Project

Dataset

SbF6O2 crystallizes in the cubic Ia-3 space group. The structure is zero-dimensional and consists of sixteen water molecules and eight SbF6 clusters. In each SbF6 cluster, Sb is bonded in an octahedral geometry to six equivalent F atoms. All Sb–F bond lengths are 1.93 Å. F is bonded in a single-bond geometry to one Sb atom.

Similar Records