Materials Data on BaTi(BO3)2 by Materials Project

doi:10.17188/1188132

Title: Materials Data on BaTi(BO3)2 by Materials Project

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Abstract

BaTi(BO3)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent O2- atoms to form distorted BaO6 octahedra that share corners with six equivalent TiO6 octahedra. The corner-sharing octahedral tilt angles are 65°. All Ba–O bond lengths are 2.81 Å. Ti4+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent BaO6 octahedra. The corner-sharing octahedral tilt angles are 65°. All Ti–O bond lengths are 1.97 Å. B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.38 Å. O2- is bonded in a 2-coordinate geometry to one Ba2+, one Ti4+, and one B3+ atom.

Authors:: The Materials Project

Publication Date:: Wed May 10 00:00:00 EDT 2017

Other Number(s):: mp-11659

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; BaTi(BO3)2; B-Ba-O-Ti

OSTI Identifier:: 1188132

DOI:: https://doi.org/10.17188/1188132

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                    The Materials Project. Materials Data on BaTi(BO3)2 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1188132.

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                    The Materials Project. Materials Data on BaTi(BO3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1188132

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                    The Materials Project. 2017.  
"Materials Data on BaTi(BO3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1188132.  https://www.osti.gov/servlets/purl/1188132. Pub date:Wed May 10 00:00:00 EDT 2017

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@article{osti_1188132,

  title        = {Materials Data on BaTi(BO3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BaTi(BO3)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent O2- atoms to form distorted BaO6 octahedra that share corners with six equivalent TiO6 octahedra. The corner-sharing octahedral tilt angles are 65°. All Ba–O bond lengths are 2.81 Å. Ti4+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent BaO6 octahedra. The corner-sharing octahedral tilt angles are 65°. All Ti–O bond lengths are 1.97 Å. B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.38 Å. O2- is bonded in a 2-coordinate geometry to one Ba2+, one Ti4+, and one B3+ atom.},

  doi          = {10.17188/1188132},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed May 10 00:00:00 EDT 2017},

  month        = {Wed May 10 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1188132

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