Materials Data on LaReN3 by Materials Project

doi:10.17188/1316879

Title: Materials Data on LaReN3 by Materials Project

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Abstract

LaReN3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. La3+ is bonded to twelve equivalent N3- atoms to form distorted LaN12 cuboctahedra that share corners with twelve equivalent LaN12 cuboctahedra, faces with six equivalent LaN12 cuboctahedra, and faces with eight equivalent ReN6 octahedra. There are a spread of La–N bond distances ranging from 2.59–3.03 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 12°. All Re–N bond lengths are 1.99 Å. N3- is bonded in a 2-coordinate geometry to four equivalent La3+ and two equivalent Re6+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-989581

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:: 1316879

DOI:: https://doi.org/10.17188/1316879

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                    The Materials Project. Materials Data on LaReN3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316879.

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                    The Materials Project. Materials Data on LaReN3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1316879

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                    The Materials Project. 2020.  
"Materials Data on LaReN3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1316879.  https://www.osti.gov/servlets/purl/1316879. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1316879,

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

  author       = {The Materials Project},

  abstractNote = {LaReN3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. La3+ is bonded to twelve equivalent N3- atoms to form distorted LaN12 cuboctahedra that share corners with twelve equivalent LaN12 cuboctahedra, faces with six equivalent LaN12 cuboctahedra, and faces with eight equivalent ReN6 octahedra. There are a spread of La–N bond distances ranging from 2.59–3.03 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 12°. All Re–N bond lengths are 1.99 Å. N3- is bonded in a 2-coordinate geometry to four equivalent La3+ and two equivalent Re6+ atoms.},

  doi          = {10.17188/1316879},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1316879

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