Materials Data on ReN2 by Materials Project

doi:10.17188/1325121

Title: Materials Data on ReN2 by Materials Project

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Abstract

ReN2 is Ilmenite-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Re6+ is bonded to six equivalent N3- atoms to form distorted edge-sharing ReN6 pentagonal pyramids. All Re–N bond lengths are 2.12 Å. N3- is bonded in a rectangular see-saw-like geometry to three equivalent Re6+ and one N3- atom. The N–N bond length is 1.35 Å.

Publication Date:: 2020-07-14

Other Number(s):: mp-1008798

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; N-Re; ReN2; crystal structure

OSTI Identifier:: 1325121

DOI:: https://doi.org/10.17188/1325121

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                    Materials Data on ReN2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1325121.

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                    Materials Data on ReN2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1325121

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                    2020.  
"Materials Data on ReN2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1325121.  https://www.osti.gov/servlets/purl/1325121. Pub date:Tue Jul 14 04:00:00 UTC 2020

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@article{osti_1325121,

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

  
  abstractNote = {ReN2 is Ilmenite-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Re6+ is bonded to six equivalent N3- atoms to form distorted edge-sharing ReN6 pentagonal pyramids. All Re–N bond lengths are 2.12 Å. N3- is bonded in a rectangular see-saw-like geometry to three equivalent Re6+ and one N3- atom. The N–N bond length is 1.35 Å.},

  doi          = {10.17188/1325121},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1325121

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Materials Data on ReN2 by Materials Project

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ReN2 is Ilmenite-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Re6+ is bonded to six equivalent N3- atoms to form distorted edge-sharing ReN6 pentagonal pyramids. All Re–N bond lengths are 2.12 Å. N3- is bonded in a rectangular see-saw-like geometry to three equivalent Re6+ and one N3- atom. The N–N bond length is 1.35 Å.
Materials Data on ReN2 by Materials Project

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ReN2 is Brookite-like structured and crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Re6+ is bonded to six N3- atoms to form a mixture of distorted edge and corner-sharing ReN6 octahedra. The corner-sharing octahedra tilt angles range from 31–57°. There are a spread of Re–N bond distances ranging from 1.86–2.29 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 3-coordinate geometry to three equivalent Re6+ atoms. In the second N3- site, N3- is bonded in a distorted trigonal planar geometry to three equivalent Re6+ atoms.
Materials Data on ReN2 by Materials Project

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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 equivalentmore »« less
Materials Data on ReN2 by Materials Project

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ReN2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Re6+ is bonded in a body-centered cubic geometry to eight equivalent N3- atoms. All Re–N bond lengths are 2.22 Å. N3- is bonded in a 5-coordinate geometry to four equivalent Re6+ and one N3- atom. The N–N bond length is 1.42 Å.
Materials Data on ReN2 by Materials Project

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ReN2 is Corundum-like structured and crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Re6+ is bonded to six equivalent N3- atoms to form edge-sharing ReN6 octahedra. There are a spread of Re–N bond distances ranging from 2.09–2.13 Å. 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 1.37 Å.

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