Materials Data on Ba3Sr by Materials Project

doi:10.17188/1684015

Title: Materials Data on Ba3Sr by Materials Project

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Abstract

Ba3Sr is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba is bonded to eight equivalent Ba and four equivalent Sr atoms to form BaBa8Sr4 cuboctahedra that share corners with four equivalent SrBa12 cuboctahedra, corners with fourteen equivalent BaBa8Sr4 cuboctahedra, edges with six equivalent SrBa12 cuboctahedra, edges with twelve equivalent BaBa8Sr4 cuboctahedra, faces with four equivalent SrBa12 cuboctahedra, and faces with sixteen equivalent BaBa8Sr4 cuboctahedra. There are a spread of Ba–Ba bond distances ranging from 4.42–4.44 Å. All Ba–Sr bond lengths are 4.43 Å. Sr is bonded to twelve equivalent Ba atoms to form SrBa12 cuboctahedra that share corners with six equivalent SrBa12 cuboctahedra, corners with twelve equivalent BaBa8Sr4 cuboctahedra, edges with eighteen equivalent BaBa8Sr4 cuboctahedra, faces with eight equivalent SrBa12 cuboctahedra, and faces with twelve equivalent BaBa8Sr4 cuboctahedra.

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-1183369

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Ba-Sr; Ba3Sr; crystal structure

OSTI Identifier:: 1684015

DOI:: https://doi.org/10.17188/1684015

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                    Materials Data on Ba3Sr by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1684015.

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                    Materials Data on Ba3Sr by Materials Project.  United States.  doi:https://doi.org/10.17188/1684015

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                    2020.  
"Materials Data on Ba3Sr by Materials Project".  United States.  doi:https://doi.org/10.17188/1684015.  https://www.osti.gov/servlets/purl/1684015. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1684015,

  title        = {Materials Data on Ba3Sr by Materials Project},

  
  abstractNote = {Ba3Sr is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba is bonded to eight equivalent Ba and four equivalent Sr atoms to form BaBa8Sr4 cuboctahedra that share corners with four equivalent SrBa12 cuboctahedra, corners with fourteen equivalent BaBa8Sr4 cuboctahedra, edges with six equivalent SrBa12 cuboctahedra, edges with twelve equivalent BaBa8Sr4 cuboctahedra, faces with four equivalent SrBa12 cuboctahedra, and faces with sixteen equivalent BaBa8Sr4 cuboctahedra. There are a spread of Ba–Ba bond distances ranging from 4.42–4.44 Å. All Ba–Sr bond lengths are 4.43 Å. Sr is bonded to twelve equivalent Ba atoms to form SrBa12 cuboctahedra that share corners with six equivalent SrBa12 cuboctahedra, corners with twelve equivalent BaBa8Sr4 cuboctahedra, edges with eighteen equivalent BaBa8Sr4 cuboctahedra, faces with eight equivalent SrBa12 cuboctahedra, and faces with twelve equivalent BaBa8Sr4 cuboctahedra.},

  doi          = {10.17188/1684015},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1684015

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