Materials Data on Sr8Co3N8 by Materials Project

doi:10.17188/1711923

Title: Materials Data on Sr8Co3N8 by Materials Project

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Abstract

Sr8Co3N8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are four 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 a spread of Sr–N bond distances ranging from 2.67–2.80 Å. In the second Sr2+ site, Sr2+ is bonded to five N3- atoms to form a mixture of distorted edge and corner-sharing SrN5 trigonal bipyramids. There are a spread of Sr–N bond distances ranging from 2.61–2.81 Å. In the third Sr2+ site, Sr2+ is bonded to five N3- atoms to form a mixture of distorted edge and corner-sharing SrN5 trigonal bipyramids. There are a spread of Sr–N bond distances ranging from 2.50–3.06 Å. In the fourth Sr2+ site, Sr2+ is bonded to five N3- atoms to form a mixture of edge and corner-sharing SrN5 trigonal bipyramids. There are a spread of Sr–N bond distances ranging from 2.61–2.73 Å. There are two inequivalent Co+2.67+ sites. In the first Co+2.67+ site, Co+2.67+ is bonded in a linear geometry to two equivalent N3- atoms. Both Co–N bond lengths are 1.80 Å. In the second Co+2.67+ site, Co+2.67+ is bonded in amore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1030752

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; Sr8Co3N8; Co-N-Sr

OSTI Identifier:: 1711923

DOI:: https://doi.org/10.17188/1711923

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                    The Materials Project. Materials Data on Sr8Co3N8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1711923.

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                    The Materials Project. Materials Data on Sr8Co3N8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1711923

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                    The Materials Project. 2020.  
"Materials Data on Sr8Co3N8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1711923.  https://www.osti.gov/servlets/purl/1711923. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1711923,

  title        = {Materials Data on Sr8Co3N8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr8Co3N8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are four 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 a spread of Sr–N bond distances ranging from 2.67–2.80 Å. In the second Sr2+ site, Sr2+ is bonded to five N3- atoms to form a mixture of distorted edge and corner-sharing SrN5 trigonal bipyramids. There are a spread of Sr–N bond distances ranging from 2.61–2.81 Å. In the third Sr2+ site, Sr2+ is bonded to five N3- atoms to form a mixture of distorted edge and corner-sharing SrN5 trigonal bipyramids. There are a spread of Sr–N bond distances ranging from 2.50–3.06 Å. In the fourth Sr2+ site, Sr2+ is bonded to five N3- atoms to form a mixture of edge and corner-sharing SrN5 trigonal bipyramids. There are a spread of Sr–N bond distances ranging from 2.61–2.73 Å. There are two inequivalent Co+2.67+ sites. In the first Co+2.67+ site, Co+2.67+ is bonded in a linear geometry to two equivalent N3- atoms. Both Co–N bond lengths are 1.80 Å. In the second Co+2.67+ site, Co+2.67+ is bonded in a trigonal planar geometry to three N3- atoms. There are a spread of Co–N bond distances ranging from 1.74–1.78 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded to five Sr2+ and one Co+2.67+ atom to form a mixture of distorted edge and corner-sharing NSr5Co octahedra. The corner-sharing octahedra tilt angles range from 16–49°. In the second N3- site, N3- is bonded to five Sr2+ and one Co+2.67+ atom to form a mixture of distorted edge and corner-sharing NSr5Co octahedra. The corner-sharing octahedra tilt angles range from 17–49°. In the third N3- site, N3- is bonded to five Sr2+ and one Co+2.67+ atom to form a mixture of distorted edge and corner-sharing NSr5Co octahedra. The corner-sharing octahedra tilt angles range from 18–63°. In the fourth N3- site, N3- is bonded to five Sr2+ and one Co+2.67+ atom to form a mixture of distorted edge and corner-sharing NSr5Co octahedra. The corner-sharing octahedra tilt angles range from 0–63°.},

  doi          = {10.17188/1711923},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1711923

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