Materials Data on Eu2SiN3 by Materials Project

doi:10.17188/1722096

Title: Materials Data on Eu2SiN3 by Materials Project

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Abstract

Eu2SiN3 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Eu+2.50+ sites. In the first Eu+2.50+ site, Eu+2.50+ is bonded in a 5-coordinate geometry to seven N3- atoms. There are a spread of Eu–N bond distances ranging from 2.50–3.02 Å. In the second Eu+2.50+ site, Eu+2.50+ is bonded to seven N3- atoms to form distorted EuN7 pentagonal bipyramids that share corners with four equivalent EuN7 pentagonal bipyramids, a cornercorner with one SiN4 tetrahedra, edges with three equivalent EuN7 pentagonal bipyramids, and edges with four equivalent SiN4 tetrahedra. There are a spread of Eu–N bond distances ranging from 2.44–2.77 Å. Si4+ is bonded to four N3- atoms to form SiN4 tetrahedra that share a cornercorner with one EuN7 pentagonal bipyramid, corners with two equivalent SiN4 tetrahedra, and edges with four equivalent EuN7 pentagonal bipyramids. There are a spread of Si–N bond distances ranging from 1.74–1.77 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded to five Eu+2.50+ and one Si4+ atom to form a mixture of distorted edge and corner-sharing NEu5Si octahedra. The corner-sharing octahedra tilt angles range from 16–57°. In the second N3- site, N3- is bonded tomore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1191010

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; Eu2SiN3; Eu-N-Si

OSTI Identifier:: 1722096

DOI:: https://doi.org/10.17188/1722096

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                    The Materials Project. Materials Data on Eu2SiN3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1722096.

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                    The Materials Project. Materials Data on Eu2SiN3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1722096

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                    The Materials Project. 2020.  
"Materials Data on Eu2SiN3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1722096.  https://www.osti.gov/servlets/purl/1722096. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1722096,

  title        = {Materials Data on Eu2SiN3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Eu2SiN3 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Eu+2.50+ sites. In the first Eu+2.50+ site, Eu+2.50+ is bonded in a 5-coordinate geometry to seven N3- atoms. There are a spread of Eu–N bond distances ranging from 2.50–3.02 Å. In the second Eu+2.50+ site, Eu+2.50+ is bonded to seven N3- atoms to form distorted EuN7 pentagonal bipyramids that share corners with four equivalent EuN7 pentagonal bipyramids, a cornercorner with one SiN4 tetrahedra, edges with three equivalent EuN7 pentagonal bipyramids, and edges with four equivalent SiN4 tetrahedra. There are a spread of Eu–N bond distances ranging from 2.44–2.77 Å. Si4+ is bonded to four N3- atoms to form SiN4 tetrahedra that share a cornercorner with one EuN7 pentagonal bipyramid, corners with two equivalent SiN4 tetrahedra, and edges with four equivalent EuN7 pentagonal bipyramids. There are a spread of Si–N bond distances ranging from 1.74–1.77 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded to five Eu+2.50+ and one Si4+ atom to form a mixture of distorted edge and corner-sharing NEu5Si octahedra. The corner-sharing octahedra tilt angles range from 16–57°. In the second N3- site, N3- is bonded to five Eu+2.50+ and one Si4+ atom to form a mixture of distorted edge and corner-sharing NEu5Si octahedra. The corner-sharing octahedra tilt angles range from 13–57°. In the third N3- site, N3- is bonded in a distorted bent 150 degrees geometry to four Eu+2.50+ and two equivalent Si4+ atoms.},

  doi          = {10.17188/1722096},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1722096

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