Materials Data on Sr4N3 by Materials Project

doi:10.17188/1751369

Title: Materials Data on Sr4N3 by Materials Project

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Abstract

Sr4N3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to four N+2.67- atoms to form SrN4 trigonal pyramids that share corners with seven SrN5 trigonal bipyramids, corners with three SrN4 trigonal pyramids, edges with three SrN5 trigonal bipyramids, and edges with two equivalent SrN4 trigonal pyramids. There are a spread of Sr–N bond distances ranging from 2.54–2.67 Å. In the second Sr2+ site, Sr2+ is bonded to five N+2.67- atoms to form distorted SrN5 trigonal bipyramids that share corners with two equivalent SrN5 trigonal bipyramids, corners with seven SrN4 trigonal pyramids, edges with five SrN5 trigonal bipyramids, and edges with three SrN4 trigonal pyramids. There are a spread of Sr–N bond distances ranging from 2.58–2.81 Å. In the third Sr2+ site, Sr2+ is bonded to four N+2.67- atoms to form SrN4 trigonal pyramids that share corners with seven SrN5 trigonal bipyramids, corners with three SrN4 trigonal pyramids, edges with three SrN5 trigonal bipyramids, and edges with two equivalent SrN4 trigonal pyramids. There are a spread of Sr–N bond distances ranging from 2.54–2.67 Å. In the fourth Sr2+ site, Sr2+ is bonded to fivemore »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1173210

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; Sr4N3; N-Sr

OSTI Identifier:: 1751369

DOI:: https://doi.org/10.17188/1751369

Citation Formats


                    The Materials Project. Materials Data on Sr4N3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1751369.

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                    The Materials Project. Materials Data on Sr4N3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1751369

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                    The Materials Project. 2020.  
"Materials Data on Sr4N3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1751369.  https://www.osti.gov/servlets/purl/1751369. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1751369,

  title        = {Materials Data on Sr4N3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr4N3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to four N+2.67- atoms to form SrN4 trigonal pyramids that share corners with seven SrN5 trigonal bipyramids, corners with three SrN4 trigonal pyramids, edges with three SrN5 trigonal bipyramids, and edges with two equivalent SrN4 trigonal pyramids. There are a spread of Sr–N bond distances ranging from 2.54–2.67 Å. In the second Sr2+ site, Sr2+ is bonded to five N+2.67- atoms to form distorted SrN5 trigonal bipyramids that share corners with two equivalent SrN5 trigonal bipyramids, corners with seven SrN4 trigonal pyramids, edges with five SrN5 trigonal bipyramids, and edges with three SrN4 trigonal pyramids. There are a spread of Sr–N bond distances ranging from 2.58–2.81 Å. In the third Sr2+ site, Sr2+ is bonded to four N+2.67- atoms to form SrN4 trigonal pyramids that share corners with seven SrN5 trigonal bipyramids, corners with three SrN4 trigonal pyramids, edges with three SrN5 trigonal bipyramids, and edges with two equivalent SrN4 trigonal pyramids. There are a spread of Sr–N bond distances ranging from 2.54–2.67 Å. In the fourth Sr2+ site, Sr2+ is bonded to five N+2.67- atoms to form distorted SrN5 trigonal bipyramids that share corners with two equivalent SrN5 trigonal bipyramids, corners with seven SrN4 trigonal pyramids, edges with five SrN5 trigonal bipyramids, and edges with three SrN4 trigonal pyramids. There are a spread of Sr–N bond distances ranging from 2.58–2.80 Å. There are three inequivalent N+2.67- sites. In the first N+2.67- site, N+2.67- is bonded to six Sr2+ atoms to form a mixture of edge, face, and corner-sharing NSr6 octahedra. The corner-sharing octahedra tilt angles range from 41–58°. In the second N+2.67- site, N+2.67- is bonded to six Sr2+ atoms to form a mixture of edge, face, and corner-sharing NSr6 octahedra. The corner-sharing octahedra tilt angles range from 41–58°. In the third N+2.67- site, N+2.67- is bonded to six Sr2+ atoms to form a mixture of edge, face, and corner-sharing NSr6 octahedra. The corner-sharing octahedra tilt angles range from 41–58°.},

  doi          = {10.17188/1751369},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1751369

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