Materials Data on Sr2NiN2 by Materials Project

doi:10.17188/1281617

Title: Materials Data on Sr2NiN2 by Materials Project

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Abstract

Sr2NiN2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to five N3- atoms to form a mixture of edge and corner-sharing SrN5 square pyramids. There are three shorter (2.68 Å) and two longer (2.73 Å) Sr–N bond lengths. In the second Sr2+ site, Sr2+ is bonded to five N3- atoms to form a mixture of edge and corner-sharing SrN5 square pyramids. There are a spread of Sr–N bond distances ranging from 2.62–2.78 Å. Ni2+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.76 Å) and one longer (1.77 Å) Ni–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to five Sr2+ and one Ni2+ atom to form a mixture of distorted edge and corner-sharing NSr5Ni octahedra. The corner-sharing octahedra tilt angles range from 0–4°. In the second N3- site, N3- is bonded to five Sr2+ and one Ni2+ atom to form a mixture of edge and corner-sharing NSr5Ni octahedra. The corner-sharing octahedra tilt angles range from 0–4°.

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-669418

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; Sr2NiN2; N-Ni-Sr

OSTI Identifier:: 1281617

DOI:: https://doi.org/10.17188/1281617

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                    The Materials Project. Materials Data on Sr2NiN2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1281617.

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                    The Materials Project. Materials Data on Sr2NiN2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1281617

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                    The Materials Project. 2020.  
"Materials Data on Sr2NiN2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1281617.  https://www.osti.gov/servlets/purl/1281617. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1281617,

  title        = {Materials Data on Sr2NiN2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr2NiN2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to five N3- atoms to form a mixture of edge and corner-sharing SrN5 square pyramids. There are three shorter (2.68 Å) and two longer (2.73 Å) Sr–N bond lengths. In the second Sr2+ site, Sr2+ is bonded to five N3- atoms to form a mixture of edge and corner-sharing SrN5 square pyramids. There are a spread of Sr–N bond distances ranging from 2.62–2.78 Å. Ni2+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.76 Å) and one longer (1.77 Å) Ni–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to five Sr2+ and one Ni2+ atom to form a mixture of distorted edge and corner-sharing NSr5Ni octahedra. The corner-sharing octahedra tilt angles range from 0–4°. In the second N3- site, N3- is bonded to five Sr2+ and one Ni2+ atom to form a mixture of edge and corner-sharing NSr5Ni octahedra. The corner-sharing octahedra tilt angles range from 0–4°.},

  doi          = {10.17188/1281617},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1281617

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