Materials Data on SrC2S2N2O3 by Materials Project

doi:10.17188/1717245

Title: Materials Data on SrC2S2N2O3 by Materials Project

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Abstract

SrC2N2S2O3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one SrC2N2S2O3 sheet oriented in the (-1, 0, 2) direction. Sr2+ is bonded to four N and two O2- atoms to form distorted edge-sharing SrN4O2 octahedra. There are a spread of Sr–N bond distances ranging from 2.57–2.70 Å. There are one shorter (2.54 Å) and one longer (2.73 Å) Sr–O bond lengths. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted linear geometry to one N and one S2- atom. The C–N bond length is 1.20 Å. The C–S bond length is 1.61 Å. In the second C4+ site, C4+ is bonded in a linear geometry to one N and one O2- atom. The C–N bond length is 1.21 Å. The C–O bond length is 1.21 Å. There are two inequivalent N sites. In the first N site, N is bonded in a distorted trigonal planar geometry to two equivalent Sr2+ and one C4+ atom. In the second N site, N is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one C4+ atom. There are two inequivalent S2- sites. In the first S2- site,more »« less

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1210354

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; SrC2S2N2O3; C-N-O-S-Sr

OSTI Identifier:: 1717245

DOI:: https://doi.org/10.17188/1717245

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                    The Materials Project. Materials Data on SrC2S2N2O3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1717245.

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                    The Materials Project. Materials Data on SrC2S2N2O3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1717245

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                    The Materials Project. 2019.  
"Materials Data on SrC2S2N2O3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1717245.  https://www.osti.gov/servlets/purl/1717245. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1717245,

  title        = {Materials Data on SrC2S2N2O3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrC2N2S2O3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one SrC2N2S2O3 sheet oriented in the (-1, 0, 2) direction. Sr2+ is bonded to four N and two O2- atoms to form distorted edge-sharing SrN4O2 octahedra. There are a spread of Sr–N bond distances ranging from 2.57–2.70 Å. There are one shorter (2.54 Å) and one longer (2.73 Å) Sr–O bond lengths. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted linear geometry to one N and one S2- atom. The C–N bond length is 1.20 Å. The C–S bond length is 1.61 Å. In the second C4+ site, C4+ is bonded in a linear geometry to one N and one O2- atom. The C–N bond length is 1.21 Å. The C–O bond length is 1.21 Å. There are two inequivalent N sites. In the first N site, N is bonded in a distorted trigonal planar geometry to two equivalent Sr2+ and one C4+ atom. In the second N site, N is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one C4+ atom. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted bent 120 degrees geometry to two O2- atoms. There is one shorter (1.46 Å) and one longer (1.47 Å) S–O bond length. In the second S2- site, S2- is bonded in a distorted single-bond geometry to one C4+ atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Sr2+ and one S2- atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sr2+ and one S2- atom.},

  doi          = {10.17188/1717245},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1717245

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