Materials Data on La3InB by Materials Project

doi:10.17188/1195731

Title: Materials Data on La3InB by Materials Project

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Abstract

La3InB is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La is bonded in a distorted linear geometry to four equivalent In and two equivalent B atoms. All La–In bond lengths are 3.77 Å. Both La–B bond lengths are 2.66 Å. In is bonded to twelve equivalent La atoms to form InLa12 cuboctahedra that share corners with twelve equivalent InLa12 cuboctahedra, faces with six equivalent InLa12 cuboctahedra, and faces with eight equivalent BLa6 octahedra. B is bonded to six equivalent La atoms to form BLa6 octahedra that share corners with six equivalent BLa6 octahedra and faces with eight equivalent InLa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-20590

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; La3InB; B-In-La

OSTI Identifier:: 1195731

DOI:: https://doi.org/10.17188/1195731

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                    The Materials Project. Materials Data on La3InB by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1195731.

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                    The Materials Project. Materials Data on La3InB by Materials Project.  United States.  doi:https://doi.org/10.17188/1195731

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                    The Materials Project. 2020.  
"Materials Data on La3InB by Materials Project".  United States.  doi:https://doi.org/10.17188/1195731.  https://www.osti.gov/servlets/purl/1195731. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1195731,

  title        = {Materials Data on La3InB by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La3InB is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La is bonded in a distorted linear geometry to four equivalent In and two equivalent B atoms. All La–In bond lengths are 3.77 Å. Both La–B bond lengths are 2.66 Å. In is bonded to twelve equivalent La atoms to form InLa12 cuboctahedra that share corners with twelve equivalent InLa12 cuboctahedra, faces with six equivalent InLa12 cuboctahedra, and faces with eight equivalent BLa6 octahedra. B is bonded to six equivalent La atoms to form BLa6 octahedra that share corners with six equivalent BLa6 octahedra and faces with eight equivalent InLa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1195731},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1195731

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