Materials Data on SrMg2N2 by Materials Project

doi:10.17188/1187193

Title: Materials Data on SrMg2N2 by Materials Project

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Abstract

SrMg2N2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent N3- atoms to form SrN6 octahedra that share corners with twelve equivalent MgN4 tetrahedra, edges with six equivalent SrN6 octahedra, and edges with six equivalent MgN4 tetrahedra. All Sr–N bond lengths are 2.76 Å. Mg2+ is bonded to four equivalent N3- atoms to form MgN4 tetrahedra that share corners with six equivalent SrN6 octahedra, corners with six equivalent MgN4 tetrahedra, edges with three equivalent SrN6 octahedra, and edges with three equivalent MgN4 tetrahedra. The corner-sharing octahedra tilt angles range from 25–50°. There are three shorter (2.18 Å) and one longer (2.25 Å) Mg–N bond lengths. N3- is bonded in a 7-coordinate geometry to three equivalent Sr2+ and four equivalent Mg2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-10550

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; SrMg2N2; Mg-N-Sr

OSTI Identifier:: 1187193

DOI:: https://doi.org/10.17188/1187193

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                    The Materials Project. Materials Data on SrMg2N2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187193.

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                    The Materials Project. Materials Data on SrMg2N2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1187193

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                    The Materials Project. 2020.  
"Materials Data on SrMg2N2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1187193.  https://www.osti.gov/servlets/purl/1187193. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1187193,

  title        = {Materials Data on SrMg2N2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrMg2N2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent N3- atoms to form SrN6 octahedra that share corners with twelve equivalent MgN4 tetrahedra, edges with six equivalent SrN6 octahedra, and edges with six equivalent MgN4 tetrahedra. All Sr–N bond lengths are 2.76 Å. Mg2+ is bonded to four equivalent N3- atoms to form MgN4 tetrahedra that share corners with six equivalent SrN6 octahedra, corners with six equivalent MgN4 tetrahedra, edges with three equivalent SrN6 octahedra, and edges with three equivalent MgN4 tetrahedra. The corner-sharing octahedra tilt angles range from 25–50°. There are three shorter (2.18 Å) and one longer (2.25 Å) Mg–N bond lengths. N3- is bonded in a 7-coordinate geometry to three equivalent Sr2+ and four equivalent Mg2+ atoms.},

  doi          = {10.17188/1187193},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1187193

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