Materials Data on BaMgSi by Materials Project

doi:10.17188/1685436

Title: Materials Data on BaMgSi by Materials Project

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Abstract

BaMgSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded to five equivalent Si4- atoms to form distorted BaSi5 trigonal bipyramids that share corners with eight equivalent MgSi4 tetrahedra, corners with eight equivalent BaSi5 trigonal bipyramids, edges with six equivalent MgSi4 tetrahedra, and edges with six equivalent BaSi5 trigonal bipyramids. There are a spread of Ba–Si bond distances ranging from 3.39–3.55 Å. Mg2+ is bonded to four equivalent Si4- atoms to form MgSi4 tetrahedra that share corners with eight equivalent MgSi4 tetrahedra, corners with eight equivalent BaSi5 trigonal bipyramids, edges with two equivalent MgSi4 tetrahedra, and edges with six equivalent BaSi5 trigonal bipyramids. There are a spread of Mg–Si bond distances ranging from 2.84–3.14 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Ba2+ and four equivalent Mg2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-1103039

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; BaMgSi; Ba-Mg-Si

OSTI Identifier:: 1685436

DOI:: https://doi.org/10.17188/1685436

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                    The Materials Project. Materials Data on BaMgSi by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1685436.

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                    The Materials Project. Materials Data on BaMgSi by Materials Project.  United States.  doi:https://doi.org/10.17188/1685436

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                    The Materials Project. 2020.  
"Materials Data on BaMgSi by Materials Project".  United States.  doi:https://doi.org/10.17188/1685436.  https://www.osti.gov/servlets/purl/1685436. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1685436,

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

  author       = {The Materials Project},

  abstractNote = {BaMgSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded to five equivalent Si4- atoms to form distorted BaSi5 trigonal bipyramids that share corners with eight equivalent MgSi4 tetrahedra, corners with eight equivalent BaSi5 trigonal bipyramids, edges with six equivalent MgSi4 tetrahedra, and edges with six equivalent BaSi5 trigonal bipyramids. There are a spread of Ba–Si bond distances ranging from 3.39–3.55 Å. Mg2+ is bonded to four equivalent Si4- atoms to form MgSi4 tetrahedra that share corners with eight equivalent MgSi4 tetrahedra, corners with eight equivalent BaSi5 trigonal bipyramids, edges with two equivalent MgSi4 tetrahedra, and edges with six equivalent BaSi5 trigonal bipyramids. There are a spread of Mg–Si bond distances ranging from 2.84–3.14 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Ba2+ and four equivalent Mg2+ atoms.},

  doi          = {10.17188/1685436},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1685436

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