Materials Data on Ba3Tb by Materials Project

doi:10.17188/1316032

Title: Materials Data on Ba3Tb by Materials Project

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Abstract

Ba3Tb is beta Cu3Ti-like 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 Tb atoms to form distorted BaBa8Tb4 cuboctahedra that share corners with four equivalent TbBa12 cuboctahedra, corners with fourteen equivalent BaBa8Tb4 cuboctahedra, edges with six equivalent TbBa12 cuboctahedra, edges with twelve equivalent BaBa8Tb4 cuboctahedra, faces with four equivalent TbBa12 cuboctahedra, and faces with sixteen equivalent BaBa8Tb4 cuboctahedra. There are a spread of Ba–Ba bond distances ranging from 4.07–4.34 Å. There are two shorter (4.12 Å) and two longer (4.21 Å) Ba–Tb bond lengths. Tb is bonded to twelve equivalent Ba atoms to form TbBa12 cuboctahedra that share corners with six equivalent TbBa12 cuboctahedra, corners with twelve equivalent BaBa8Tb4 cuboctahedra, edges with eighteen equivalent BaBa8Tb4 cuboctahedra, faces with eight equivalent TbBa12 cuboctahedra, and faces with twelve equivalent BaBa8Tb4 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-978919

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; Ba3Tb; Ba-Tb

OSTI Identifier:: 1316032

DOI:: https://doi.org/10.17188/1316032

Citation Formats


                    The Materials Project. Materials Data on Ba3Tb by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316032.

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                    The Materials Project. Materials Data on Ba3Tb by Materials Project.  United States.  doi:https://doi.org/10.17188/1316032

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                    The Materials Project. 2020.  
"Materials Data on Ba3Tb by Materials Project".  United States.  doi:https://doi.org/10.17188/1316032.  https://www.osti.gov/servlets/purl/1316032. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1316032,

  title        = {Materials Data on Ba3Tb by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ba3Tb is beta Cu3Ti-like 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 Tb atoms to form distorted BaBa8Tb4 cuboctahedra that share corners with four equivalent TbBa12 cuboctahedra, corners with fourteen equivalent BaBa8Tb4 cuboctahedra, edges with six equivalent TbBa12 cuboctahedra, edges with twelve equivalent BaBa8Tb4 cuboctahedra, faces with four equivalent TbBa12 cuboctahedra, and faces with sixteen equivalent BaBa8Tb4 cuboctahedra. There are a spread of Ba–Ba bond distances ranging from 4.07–4.34 Å. There are two shorter (4.12 Å) and two longer (4.21 Å) Ba–Tb bond lengths. Tb is bonded to twelve equivalent Ba atoms to form TbBa12 cuboctahedra that share corners with six equivalent TbBa12 cuboctahedra, corners with twelve equivalent BaBa8Tb4 cuboctahedra, edges with eighteen equivalent BaBa8Tb4 cuboctahedra, faces with eight equivalent TbBa12 cuboctahedra, and faces with twelve equivalent BaBa8Tb4 cuboctahedra.},

  doi          = {10.17188/1316032},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1316032

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