Materials Data on KAl(SO10)2 by Materials Project

doi:10.17188/1758336

Title: Materials Data on KAl(SO10)2 by Materials Project

Dataset
Other Related Research

Abstract

KAlO12(SO4)2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional and consists of eight sulfuric acid molecules and one KAlO12 framework. In the KAlO12 framework, K is bonded in a distorted octahedral geometry to six equivalent O atoms. All K–O bond lengths are 3.33 Å. Al is bonded in an octahedral geometry to six equivalent O atoms. All Al–O bond lengths are 1.94 Å. There are two inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one K and one O atom. The O–O bond length is 1.27 Å. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Al and one O atom.

Publication Date:: 2020-09-03

Other Number(s):: mp-1181191

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-K-O-S; KAl(SO10)2; crystal structure

OSTI Identifier:: 1758336

DOI:: https://doi.org/10.17188/1758336

Citation Formats


                    Materials Data on KAl(SO10)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1758336.

Copy to clipboard


                    Materials Data on KAl(SO10)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1758336

Copy to clipboard


                    2020.  
"Materials Data on KAl(SO10)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1758336.  https://www.osti.gov/servlets/purl/1758336. Pub date:Thu Sep 03 04:00:00 UTC 2020

Copy to clipboard


                    
@article{osti_1758336,

  title        = {Materials Data on KAl(SO10)2 by Materials Project},

  
  abstractNote = {KAlO12(SO4)2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional and consists of eight sulfuric acid molecules and one KAlO12 framework. In the KAlO12 framework, K is bonded in a distorted octahedral geometry to six equivalent O atoms. All K–O bond lengths are 3.33 Å. Al is bonded in an octahedral geometry to six equivalent O atoms. All Al–O bond lengths are 1.94 Å. There are two inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one K and one O atom. The O–O bond length is 1.27 Å. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Al and one O atom.},

  doi          = {10.17188/1758336},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {9}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1758336

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on KAl(SO10)2 by Materials Project

Dataset

KO6AlO6(SO4)2 crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of eight sulfuric acid molecules, four AlO6 clusters, and four KO6 clusters. In each AlO6 cluster, Al is bonded in a distorted octahedral geometry to six equivalent O atoms. All Al–O bond lengths are 1.87 Å. O is bonded in a single-bond geometry to one Al atom. In each KO6 cluster, K is bonded in a hexagonal planar geometry to six equivalent O atoms. All K–O bond lengths are 3.05 Å. O is bonded in a distorted single-bond geometry to one K atom.
Materials Data on KAl(SO4)2 by Materials Project

Dataset

KAl(SO4)2 crystallizes in the trigonal P321 space group. The structure is three-dimensional. K1+ is bonded to twelve O2- atoms to form KO12 cuboctahedra that share edges with six equivalent KO12 cuboctahedra, edges with six equivalent SO4 tetrahedra, and faces with two equivalent AlO6 octahedra. There are six shorter (3.03 Å) and six longer (3.21 Å) K–O bond lengths. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with six equivalent SO4 tetrahedra and faces with two equivalent KO12 cuboctahedra. All Al–O bond lengths are 1.88 Å. S6+ is bonded to four O2- atoms tomore »« less
Materials Data on KAl(MoO4)2 by Materials Project

Dataset

KAl(MoO4)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. K1+ is bonded to twelve O2- atoms to form KO12 cuboctahedra that share edges with six equivalent KO12 cuboctahedra, edges with six equivalent MoO4 tetrahedra, and faces with two equivalent AlO6 octahedra. There are six shorter (2.96 Å) and six longer (3.26 Å) K–O bond lengths. Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with three equivalent AlO6 octahedra and edges with three equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 19°. There is one shorter (1.75 Å) and three longermore »« less
Materials Data on KAl(SO4)2 by Materials Project

Dataset

KAl(SO4)2 crystallizes in the trigonal P321 space group. The structure is three-dimensional. K1+ is bonded to twelve O2- atoms to form KO12 cuboctahedra that share edges with six equivalent KO12 cuboctahedra, edges with six equivalent SO4 tetrahedra, and faces with two equivalent AlO6 octahedra. There are six shorter (2.99 Å) and six longer (3.27 Å) K–O bond lengths. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with six equivalent SO4 tetrahedra and faces with two equivalent KO12 cuboctahedra. All Al–O bond lengths are 1.90 Å. S6+ is bonded to four O2- atoms tomore »« less
Materials Data on KAl(SiO3)2 by Materials Project

Dataset

KAlSi2O6 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.91–3.24 Å. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with four SiO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.75–1.77 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent AlO4 tetrahedra and corners with two equivalentmore »« less

Similar Records