Materials Data on SrReN3 by Materials Project

doi:10.17188/1316916

Title: Materials Data on SrReN3 by Materials Project

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Abstract

SrReN3 is Esseneite-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of Sr–N bond distances ranging from 2.65–3.30 Å. In the second Sr2+ site, Sr2+ is bonded to six N3- atoms to form SrN6 octahedra that share corners with six equivalent ReN4 tetrahedra and edges with two equivalent SrN6 octahedra. There are a spread of Sr–N bond distances ranging from 2.53–2.66 Å. Re7+ is bonded to four N3- atoms to form ReN4 tetrahedra that share corners with three equivalent SrN6 octahedra and corners with two equivalent ReN4 tetrahedra. The corner-sharing octahedra tilt angles range from 32–68°. There are a spread of Re–N bond distances ranging from 1.75–1.92 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted rectangular see-saw-like geometry to three Sr2+ and one Re7+ atom. In the second N3- site, N3- is bonded in a 3-coordinate geometry to two Sr2+ and one Re7+ atom. In the third N3- site, N3- is bonded in a 2-coordinate geometry to two equivalentmore » Sr2+ and two equivalent Re7+ atoms.« less

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-989623

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; SrReN3; N-Re-Sr

OSTI Identifier:: 1316916

DOI:: https://doi.org/10.17188/1316916

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                    The Materials Project. Materials Data on SrReN3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316916.

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                    The Materials Project. Materials Data on SrReN3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1316916

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                    The Materials Project. 2020.  
"Materials Data on SrReN3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1316916.  https://www.osti.gov/servlets/purl/1316916. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1316916,

  title        = {Materials Data on SrReN3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrReN3 is Esseneite-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of Sr–N bond distances ranging from 2.65–3.30 Å. In the second Sr2+ site, Sr2+ is bonded to six N3- atoms to form SrN6 octahedra that share corners with six equivalent ReN4 tetrahedra and edges with two equivalent SrN6 octahedra. There are a spread of Sr–N bond distances ranging from 2.53–2.66 Å. Re7+ is bonded to four N3- atoms to form ReN4 tetrahedra that share corners with three equivalent SrN6 octahedra and corners with two equivalent ReN4 tetrahedra. The corner-sharing octahedra tilt angles range from 32–68°. There are a spread of Re–N bond distances ranging from 1.75–1.92 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted rectangular see-saw-like geometry to three Sr2+ and one Re7+ atom. In the second N3- site, N3- is bonded in a 3-coordinate geometry to two Sr2+ and one Re7+ atom. In the third N3- site, N3- is bonded in a 2-coordinate geometry to two equivalent Sr2+ and two equivalent Re7+ atoms.},

  doi          = {10.17188/1316916},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1316916

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