Materials Data on BaAl2Sb2O7 by Materials Project

doi:10.17188/1189245

Title: Materials Data on BaAl2Sb2O7 by Materials Project

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Abstract

BaAl2Sb2O7 crystallizes in the trigonal R32 space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent O2- atoms to form distorted BaO6 pentagonal pyramids that share corners with six equivalent AlO4 tetrahedra. All Ba–O bond lengths are 2.82 Å. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with three equivalent BaO6 pentagonal pyramids and a cornercorner with one AlO4 tetrahedra. There is one shorter (1.73 Å) and three longer (1.79 Å) Al–O bond length. Sb3+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All Sb–O bond lengths are 1.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ba2+, one Al3+, and one Sb3+ atom. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Al3+ atoms.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-12885

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; BaAl2Sb2O7; Al-Ba-O-Sb

OSTI Identifier:: 1189245

DOI:: https://doi.org/10.17188/1189245

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                    The Materials Project. Materials Data on BaAl2Sb2O7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1189245.

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                    The Materials Project. Materials Data on BaAl2Sb2O7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1189245

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                    The Materials Project. 2020.  
"Materials Data on BaAl2Sb2O7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1189245.  https://www.osti.gov/servlets/purl/1189245. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1189245,

  title        = {Materials Data on BaAl2Sb2O7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BaAl2Sb2O7 crystallizes in the trigonal R32 space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent O2- atoms to form distorted BaO6 pentagonal pyramids that share corners with six equivalent AlO4 tetrahedra. All Ba–O bond lengths are 2.82 Å. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with three equivalent BaO6 pentagonal pyramids and a cornercorner with one AlO4 tetrahedra. There is one shorter (1.73 Å) and three longer (1.79 Å) Al–O bond length. Sb3+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All Sb–O bond lengths are 1.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ba2+, one Al3+, and one Sb3+ atom. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Al3+ atoms.},

  doi          = {10.17188/1189245},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1189245

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