Materials Data on Ba3Al2(SiO4)3 by Materials Project

doi:10.17188/1189907

Title: Materials Data on Ba3Al2(SiO4)3 by Materials Project

Dataset
Other Related Research

Abstract

Ba3Al2(SiO4)3 is Esseneite-like structured and crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.56 Å) and four longer (2.80 Å) Ba–O bond lengths. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with six equivalent SiO4 tetrahedra. All Al–O bond lengths are 2.03 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent AlO6 octahedra. The corner-sharing octahedral tilt angles are 35°. All Si–O bond lengths are 1.68 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+, one Al3+, and one Si4+ atom.

Publication Date:: Thu Apr 30 04:00:00 UTC 2020

Other Number(s):: mp-14049

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-Ba-O-Si; Ba3Al2(SiO4)3; crystal structure

OSTI Identifier:: 1189907

DOI:: https://doi.org/10.17188/1189907

Citation Formats


                    Materials Data on Ba3Al2(SiO4)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1189907.

Copy to clipboard


                    Materials Data on Ba3Al2(SiO4)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1189907

Copy to clipboard


                    2020.  
"Materials Data on Ba3Al2(SiO4)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1189907.  https://www.osti.gov/servlets/purl/1189907. Pub date:Thu Apr 30 04:00:00 UTC 2020

Copy to clipboard


                    
@article{osti_1189907,

  title        = {Materials Data on Ba3Al2(SiO4)3 by Materials Project},

  
  abstractNote = {Ba3Al2(SiO4)3 is Esseneite-like structured and crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.56 Å) and four longer (2.80 Å) Ba–O bond lengths. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with six equivalent SiO4 tetrahedra. All Al–O bond lengths are 2.03 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent AlO6 octahedra. The corner-sharing octahedral tilt angles are 35°. All Si–O bond lengths are 1.68 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+, one Al3+, and one Si4+ atom.},

  doi          = {10.17188/1189907},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 04:00:00 UTC 2020},

  month        = {Thu Apr 30 04:00:00 UTC 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1189907

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on K4Al3(SiO4)3 by Materials Project

Dataset

K4Al3(SiO4)3 crystallizes in the cubic P-43n space group. The structure is three-dimensional. K is bonded in a distorted hexagonal planar geometry to six equivalent O atoms. There are three shorter (2.78 Å) and three longer (2.96 Å) K–O bond lengths. Al is bonded to four equivalent O atoms to form AlO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. All Al–O bond lengths are 1.76 Å. Si is bonded to four equivalent O atoms to form SiO4 tetrahedra that share corners with four equivalent AlO4 tetrahedra. All Si–O bond lengths are 1.64 Å. O is bonded in a distortedmore »« less
Materials Data on Ca3Fe2(SiO4)3 by Materials Project

Dataset

Ca3Fe2Si3O12 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Ca2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.38 Å) and four longer (2.53 Å) Ca–O bond lengths. Fe3+ is bonded to six equivalent O2- atoms to form FeO6 octahedra that share corners with six equivalent SiO4 tetrahedra. All Fe–O bond lengths are 2.05 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent FeO6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Si–O bond lengths are 1.66more »« less
Materials Data on Al2Cd3(SiO4)3 by Materials Project

Dataset

Cd3Al2(SiO4)3 is Esseneite-like structured and crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Cd2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.34 Å) and four longer (2.53 Å) Cd–O bond lengths. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with six equivalent SiO4 tetrahedra. All Al–O bond lengths are 1.93 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent AlO6 octahedra. The corner-sharing octahedral tilt angles are 43°. All Si–Omore »« less
Materials Data on Sr3Al2(SiO4)3 by Materials Project

Dataset

Sr3Al2(SiO4)3 is Esseneite-like structured and crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Sr2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.44 Å) and four longer (2.64 Å) Sr–O bond lengths. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with six equivalent SiO4 tetrahedra. All Al–O bond lengths are 1.98 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent AlO6 octahedra. The corner-sharing octahedral tilt angles are 40°. All Si–Omore »« less
Materials Data on Ca3Ga2(SiO4)3 by Materials Project

Dataset

Ca3Ga2Si3O12 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Ca2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.37 Å) and four longer (2.52 Å) Ca–O bond lengths. Ga3+ is bonded to six equivalent O2- atoms to form GaO6 octahedra that share corners with six equivalent SiO4 tetrahedra. All Ga–O bond lengths are 2.02 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent GaO6 octahedra. The corner-sharing octahedral tilt angles are 46°. All Si–O bond lengths are 1.66more »« less

Similar Records