Materials Data on Lu3AlN by Materials Project

doi:10.17188/1349810

Title: Materials Data on Lu3AlN by Materials Project

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Abstract

Lu3AlN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Lu is bonded in a linear geometry to four equivalent Al and two equivalent N atoms. All Lu–Al bond lengths are 3.28 Å. Both Lu–N bond lengths are 2.32 Å. Al is bonded to twelve equivalent Lu atoms to form AlLu12 cuboctahedra that share corners with twelve equivalent AlLu12 cuboctahedra, faces with six equivalent AlLu12 cuboctahedra, and faces with eight equivalent NLu6 octahedra. N is bonded to six equivalent Lu atoms to form NLu6 octahedra that share corners with six equivalent NLu6 octahedra and faces with eight equivalent AlLu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-1017627

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; Lu3AlN; Al-Lu-N

OSTI Identifier:: 1349810

DOI:: https://doi.org/10.17188/1349810

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                    The Materials Project. Materials Data on Lu3AlN by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1349810.

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                    The Materials Project. Materials Data on Lu3AlN by Materials Project.  United States.  doi:https://doi.org/10.17188/1349810

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                    The Materials Project. 2020.  
"Materials Data on Lu3AlN by Materials Project".  United States.  doi:https://doi.org/10.17188/1349810.  https://www.osti.gov/servlets/purl/1349810. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1349810,

  title        = {Materials Data on Lu3AlN by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Lu3AlN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Lu is bonded in a linear geometry to four equivalent Al and two equivalent N atoms. All Lu–Al bond lengths are 3.28 Å. Both Lu–N bond lengths are 2.32 Å. Al is bonded to twelve equivalent Lu atoms to form AlLu12 cuboctahedra that share corners with twelve equivalent AlLu12 cuboctahedra, faces with six equivalent AlLu12 cuboctahedra, and faces with eight equivalent NLu6 octahedra. N is bonded to six equivalent Lu atoms to form NLu6 octahedra that share corners with six equivalent NLu6 octahedra and faces with eight equivalent AlLu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1349810},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1349810

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