Materials Data on Al5Sb3O16 by Materials Project

doi:10.17188/1708022

Title: Materials Data on Al5Sb3O16 by Materials Project

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Abstract

Al5Sb3O16 is Hydrophilite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Al sites. In the first Al site, Al is bonded to six O atoms to form AlO6 octahedra that share corners with six SbO6 octahedra and edges with three AlO6 octahedra. The corner-sharing octahedra tilt angles range from 48–52°. There are a spread of Al–O bond distances ranging from 1.88–1.97 Å. In the second Al site, Al is bonded to six O atoms to form AlO6 octahedra that share corners with four equivalent SbO6 octahedra and edges with four equivalent AlO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There is two shorter (1.83 Å) and four longer (1.96 Å) Al–O bond length. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded to six O atoms to form SbO6 octahedra that share corners with ten AlO6 octahedra and an edgeedge with one SbO6 octahedra. The corner-sharing octahedra tilt angles range from 48–53°. There are a spread of Sb–O bond distances ranging from 1.97–2.06 Å. In the second Sb site, Sb is bonded to six O atoms to form SbO6 octahedra that share corners with eightmore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1214826

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; Al5Sb3O16; Al-O-Sb

OSTI Identifier:: 1708022

DOI:: https://doi.org/10.17188/1708022

Citation Formats


                    The Materials Project. Materials Data on Al5Sb3O16 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1708022.

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                    The Materials Project. Materials Data on Al5Sb3O16 by Materials Project.  United States.  doi:https://doi.org/10.17188/1708022

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                    The Materials Project. 2020.  
"Materials Data on Al5Sb3O16 by Materials Project".  United States.  doi:https://doi.org/10.17188/1708022.  https://www.osti.gov/servlets/purl/1708022. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1708022,

  title        = {Materials Data on Al5Sb3O16 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Al5Sb3O16 is Hydrophilite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Al sites. In the first Al site, Al is bonded to six O atoms to form AlO6 octahedra that share corners with six SbO6 octahedra and edges with three AlO6 octahedra. The corner-sharing octahedra tilt angles range from 48–52°. There are a spread of Al–O bond distances ranging from 1.88–1.97 Å. In the second Al site, Al is bonded to six O atoms to form AlO6 octahedra that share corners with four equivalent SbO6 octahedra and edges with four equivalent AlO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There is two shorter (1.83 Å) and four longer (1.96 Å) Al–O bond length. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded to six O atoms to form SbO6 octahedra that share corners with ten AlO6 octahedra and an edgeedge with one SbO6 octahedra. The corner-sharing octahedra tilt angles range from 48–53°. There are a spread of Sb–O bond distances ranging from 1.97–2.06 Å. In the second Sb site, Sb is bonded to six O atoms to form SbO6 octahedra that share corners with eight equivalent AlO6 octahedra and edges with two equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 50–52°. There is two shorter (1.96 Å) and four longer (2.02 Å) Sb–O bond length. There are five inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two equivalent Al and one Sb atom. In the second O site, O is bonded in a distorted trigonal planar geometry to two Al and one Sb atom. In the third O site, O is bonded in a trigonal non-coplanar geometry to three Al atoms. In the fourth O site, O is bonded in a distorted trigonal planar geometry to one Al and two Sb atoms. In the fifth O site, O is bonded in a trigonal planar geometry to two equivalent Al and one Sb atom.},

  doi          = {10.17188/1708022},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1708022

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