Materials Data on Sr5(GeN3)2 by Materials Project

doi:10.17188/1276064

Title: Materials Data on Sr5(GeN3)2 by Materials Project

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Abstract

Sr5(GeN3)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to five N3- atoms to form distorted SrN5 trigonal bipyramids that share corners with two equivalent GeN4 tetrahedra, corners with two equivalent SrN5 trigonal bipyramids, edges with two equivalent GeN4 tetrahedra, and an edgeedge with one SrN5 trigonal bipyramid. There are a spread of Sr–N bond distances ranging from 2.47–2.68 Å. In the second Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Sr–N bond distances ranging from 2.63–3.21 Å. In the third Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Sr–N bond distances ranging from 2.50–3.14 Å. Ge4+ is bonded to four N3- atoms to form GeN4 tetrahedra that share corners with two equivalent SrN5 trigonal bipyramids, an edgeedge with one GeN4 tetrahedra, and edges with two equivalent SrN5 trigonal bipyramids. There are a spread of Ge–N bond distances ranging from 1.85–2.00 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 2-coordinate geometry to four Sr2+more »« less

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-571046

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; Sr5(GeN3)2; Ge-N-Sr

OSTI Identifier:: 1276064

DOI:: https://doi.org/10.17188/1276064

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                    The Materials Project. Materials Data on Sr5(GeN3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1276064.

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                    The Materials Project. Materials Data on Sr5(GeN3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1276064

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                    The Materials Project. 2020.  
"Materials Data on Sr5(GeN3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1276064.  https://www.osti.gov/servlets/purl/1276064. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1276064,

  title        = {Materials Data on Sr5(GeN3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr5(GeN3)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to five N3- atoms to form distorted SrN5 trigonal bipyramids that share corners with two equivalent GeN4 tetrahedra, corners with two equivalent SrN5 trigonal bipyramids, edges with two equivalent GeN4 tetrahedra, and an edgeedge with one SrN5 trigonal bipyramid. There are a spread of Sr–N bond distances ranging from 2.47–2.68 Å. In the second Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Sr–N bond distances ranging from 2.63–3.21 Å. In the third Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Sr–N bond distances ranging from 2.50–3.14 Å. Ge4+ is bonded to four N3- atoms to form GeN4 tetrahedra that share corners with two equivalent SrN5 trigonal bipyramids, an edgeedge with one GeN4 tetrahedra, and edges with two equivalent SrN5 trigonal bipyramids. There are a spread of Ge–N bond distances ranging from 1.85–2.00 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 2-coordinate geometry to four Sr2+ and two equivalent Ge4+ atoms. In the second N3- site, N3- is bonded to five Sr2+ and one Ge4+ atom to form a mixture of distorted corner and edge-sharing NSr5Ge octahedra. The corner-sharing octahedra tilt angles range from 19–72°. In the third N3- site, N3- is bonded to five Sr2+ and one Ge4+ atom to form a mixture of distorted corner, edge, and face-sharing NSr5Ge octahedra. The corner-sharing octahedra tilt angles range from 19–72°.},

  doi          = {10.17188/1276064},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1276064

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