Materials Data on Ti3Be by Materials Project

doi:10.17188/1316046

Title: Materials Data on Ti3Be by Materials Project

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Abstract

BeTi3 is alpha Samarium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Be is bonded to twelve equivalent Ti atoms to form BeTi12 cuboctahedra that share corners with six equivalent BeTi12 cuboctahedra, corners with twelve equivalent TiTi8Be4 cuboctahedra, edges with eighteen equivalent TiTi8Be4 cuboctahedra, faces with eight equivalent BeTi12 cuboctahedra, and faces with twelve equivalent TiTi8Be4 cuboctahedra. There are six shorter (2.71 Å) and six longer (2.78 Å) Be–Ti bond lengths. Ti is bonded to four equivalent Be and eight equivalent Ti atoms to form TiTi8Be4 cuboctahedra that share corners with four equivalent BeTi12 cuboctahedra, corners with fourteen equivalent TiTi8Be4 cuboctahedra, edges with six equivalent BeTi12 cuboctahedra, edges with twelve equivalent TiTi8Be4 cuboctahedra, faces with four equivalent BeTi12 cuboctahedra, and faces with sixteen equivalent TiTi8Be4 cuboctahedra. There are a spread of Ti–Ti bond distances ranging from 2.65–2.90 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-978963

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; Ti3Be; Be-Ti

OSTI Identifier:: 1316046

DOI:: https://doi.org/10.17188/1316046

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                    The Materials Project. Materials Data on Ti3Be by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316046.

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                    The Materials Project. Materials Data on Ti3Be by Materials Project.  United States.  doi:https://doi.org/10.17188/1316046

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                    The Materials Project. 2020.  
"Materials Data on Ti3Be by Materials Project".  United States.  doi:https://doi.org/10.17188/1316046.  https://www.osti.gov/servlets/purl/1316046. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1316046,

  title        = {Materials Data on Ti3Be by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BeTi3 is alpha Samarium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Be is bonded to twelve equivalent Ti atoms to form BeTi12 cuboctahedra that share corners with six equivalent BeTi12 cuboctahedra, corners with twelve equivalent TiTi8Be4 cuboctahedra, edges with eighteen equivalent TiTi8Be4 cuboctahedra, faces with eight equivalent BeTi12 cuboctahedra, and faces with twelve equivalent TiTi8Be4 cuboctahedra. There are six shorter (2.71 Å) and six longer (2.78 Å) Be–Ti bond lengths. Ti is bonded to four equivalent Be and eight equivalent Ti atoms to form TiTi8Be4 cuboctahedra that share corners with four equivalent BeTi12 cuboctahedra, corners with fourteen equivalent TiTi8Be4 cuboctahedra, edges with six equivalent BeTi12 cuboctahedra, edges with twelve equivalent TiTi8Be4 cuboctahedra, faces with four equivalent BeTi12 cuboctahedra, and faces with sixteen equivalent TiTi8Be4 cuboctahedra. There are a spread of Ti–Ti bond distances ranging from 2.65–2.90 Å.},

  doi          = {10.17188/1316046},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1316046

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