Materials Data on ReN2 by Materials Project

doi:10.17188/1350373

Title: Materials Data on ReN2 by Materials Project

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Abstract

ReN2 is Corundum-like structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Re6+ is bonded to six N3- atoms to form ReN6 octahedra that share corners with three equivalent NRe3N tetrahedra and edges with six equivalent ReN6 octahedra. There are a spread of Re–N bond distances ranging from 2.07–2.14 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Re6+ and one N3- atom. The N–N bond length is 1.38 Å. In the second N3- site, N3- is bonded to three equivalent Re6+ and one N3- atom to form distorted NRe3N tetrahedra that share corners with three equivalent ReN6 octahedra, corners with two equivalent NRe3N tetrahedra, and edges with two equivalent NRe3N tetrahedra. The corner-sharing octahedra tilt angles range from 47–50°.

Authors:: The Materials Project

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-1019077

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; ReN2; N-Re

OSTI Identifier:: 1350373

DOI:: https://doi.org/10.17188/1350373

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                    The Materials Project. Materials Data on ReN2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1350373.

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                    The Materials Project. Materials Data on ReN2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1350373

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                    The Materials Project. 2020.  
"Materials Data on ReN2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1350373.  https://www.osti.gov/servlets/purl/1350373. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1350373,

  title        = {Materials Data on ReN2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ReN2 is Corundum-like structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Re6+ is bonded to six N3- atoms to form ReN6 octahedra that share corners with three equivalent NRe3N tetrahedra and edges with six equivalent ReN6 octahedra. There are a spread of Re–N bond distances ranging from 2.07–2.14 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Re6+ and one N3- atom. The N–N bond length is 1.38 Å. In the second N3- site, N3- is bonded to three equivalent Re6+ and one N3- atom to form distorted NRe3N tetrahedra that share corners with three equivalent ReN6 octahedra, corners with two equivalent NRe3N tetrahedra, and edges with two equivalent NRe3N tetrahedra. The corner-sharing octahedra tilt angles range from 47–50°.},

  doi          = {10.17188/1350373},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1350373

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