Materials Data on BaSn(GeO3)3 by Materials Project

doi:10.17188/1264495

Title: Materials Data on BaSn(GeO3)3 by Materials Project

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Abstract

BaSn(GeO3)3 crystallizes in the hexagonal P-6c2 space group. The structure is three-dimensional. Ba2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Ba–O bond lengths are 2.83 Å. Sn4+ is bonded to six equivalent O2- atoms to form SnO6 octahedra that share corners with six equivalent GeO4 tetrahedra. All Sn–O bond lengths are 2.08 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent SnO6 octahedra and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of Ge–O bond distances ranging from 1.75–1.80 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Ge4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Ba2+, one Sn4+, and one Ge4+ atom.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-540635

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; BaSn(GeO3)3; Ba-Ge-O-Sn

OSTI Identifier:: 1264495

DOI:: https://doi.org/10.17188/1264495

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                    The Materials Project. Materials Data on BaSn(GeO3)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1264495.

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                    The Materials Project. Materials Data on BaSn(GeO3)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1264495

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                    The Materials Project. 2020.  
"Materials Data on BaSn(GeO3)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1264495.  https://www.osti.gov/servlets/purl/1264495. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1264495,

  title        = {Materials Data on BaSn(GeO3)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BaSn(GeO3)3 crystallizes in the hexagonal P-6c2 space group. The structure is three-dimensional. Ba2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Ba–O bond lengths are 2.83 Å. Sn4+ is bonded to six equivalent O2- atoms to form SnO6 octahedra that share corners with six equivalent GeO4 tetrahedra. All Sn–O bond lengths are 2.08 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent SnO6 octahedra and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of Ge–O bond distances ranging from 1.75–1.80 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Ge4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Ba2+, one Sn4+, and one Ge4+ atom.},

  doi          = {10.17188/1264495},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1264495

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