Materials Data on LaReN3 by Materials Project

doi:10.17188/1316895

Title: Materials Data on LaReN3 by Materials Project

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Abstract

LaReN3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La3+ is bonded to twelve equivalent N3- atoms to form LaN12 cuboctahedra that share corners with twelve equivalent LaN12 cuboctahedra, faces with six equivalent LaN12 cuboctahedra, and faces with eight equivalent ReN6 octahedra. All La–N bond lengths are 2.81 Å. Re6+ is bonded to six equivalent N3- atoms to form ReN6 octahedra that share corners with six equivalent ReN6 octahedra and faces with eight equivalent LaN12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Re–N bond lengths are 1.98 Å. N3- is bonded in a distorted linear geometry to four equivalent La3+ and two equivalent Re6+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-20

Other Number(s):: mp-989602

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; LaReN3; La-N-Re

OSTI Identifier:: 1316895

DOI:: https://doi.org/10.17188/1316895

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                    The Materials Project. Materials Data on LaReN3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316895.

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                    The Materials Project. Materials Data on LaReN3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1316895

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                    The Materials Project. 2020.  
"Materials Data on LaReN3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1316895.  https://www.osti.gov/servlets/purl/1316895. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1316895,

  title        = {Materials Data on LaReN3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LaReN3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La3+ is bonded to twelve equivalent N3- atoms to form LaN12 cuboctahedra that share corners with twelve equivalent LaN12 cuboctahedra, faces with six equivalent LaN12 cuboctahedra, and faces with eight equivalent ReN6 octahedra. All La–N bond lengths are 2.81 Å. Re6+ is bonded to six equivalent N3- atoms to form ReN6 octahedra that share corners with six equivalent ReN6 octahedra and faces with eight equivalent LaN12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Re–N bond lengths are 1.98 Å. N3- is bonded in a distorted linear geometry to four equivalent La3+ and two equivalent Re6+ atoms.},

  doi          = {10.17188/1316895},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1316895

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