Materials Data on Sn3N4 by Materials Project

doi:10.17188/1191514

Title: Materials Data on Sn3N4 by Materials Project

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Abstract

Sn3N4 is Hausmannite structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to six equivalent N3- atoms to form SnN6 octahedra that share corners with six equivalent SnN4 tetrahedra and edges with six equivalent SnN6 octahedra. All Sn–N bond lengths are 2.21 Å. In the second Sn4+ site, Sn4+ is bonded to four equivalent N3- atoms to form corner-sharing SnN4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. All Sn–N bond lengths are 2.12 Å. N3- is bonded to four Sn4+ atoms to form a mixture of distorted corner and edge-sharing NSn4 trigonal pyramids.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-16031

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; Sn3N4; N-Sn

OSTI Identifier:: 1191514

DOI:: https://doi.org/10.17188/1191514

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                    The Materials Project. Materials Data on Sn3N4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1191514.

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                    The Materials Project. Materials Data on Sn3N4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1191514

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                    The Materials Project. 2020.  
"Materials Data on Sn3N4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1191514.  https://www.osti.gov/servlets/purl/1191514. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1191514,

  title        = {Materials Data on Sn3N4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sn3N4 is Hausmannite structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to six equivalent N3- atoms to form SnN6 octahedra that share corners with six equivalent SnN4 tetrahedra and edges with six equivalent SnN6 octahedra. All Sn–N bond lengths are 2.21 Å. In the second Sn4+ site, Sn4+ is bonded to four equivalent N3- atoms to form corner-sharing SnN4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. All Sn–N bond lengths are 2.12 Å. N3- is bonded to four Sn4+ atoms to form a mixture of distorted corner and edge-sharing NSn4 trigonal pyramids.},

  doi          = {10.17188/1191514},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1191514

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