Materials Data on CsSrN9 by Materials Project

doi:10.17188/1203610

Title: Materials Data on CsSrN9 by Materials Project

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Abstract

CsSrN9 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cs1+ is bonded in a 2-coordinate geometry to ten N+0.33- atoms. There are a spread of Cs–N bond distances ranging from 3.16–3.46 Å. Sr2+ is bonded in a 8-coordinate geometry to eight N+0.33- atoms. There are a spread of Sr–N bond distances ranging from 2.68–2.81 Å. There are five inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a 2-coordinate geometry to two equivalent Cs1+, one Sr2+, and one N+0.33- atom. The N–N bond length is 1.18 Å. In the second N+0.33- site, N+0.33- is bonded in a linear geometry to two equivalent N+0.33- atoms. Both N–N bond lengths are 1.18 Å. In the third N+0.33- site, N+0.33- is bonded in a distorted trigonal non-coplanar geometry to one Cs1+, one Sr2+, and one N+0.33- atom. In the fourth N+0.33- site, N+0.33- is bonded in a distorted linear geometry to one Cs1+ and two N+0.33- atoms. The N–N bond length is 1.19 Å. In the fifth N+0.33- site, N+0.33- is bonded in a distorted trigonal planar geometry to one Cs1+, two equivalent Sr2+, and one N+0.33- atom.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-29228

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; CsSrN9; Cs-N-Sr

OSTI Identifier:: 1203610

DOI:: https://doi.org/10.17188/1203610

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                    The Materials Project. Materials Data on CsSrN9 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1203610.

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                    The Materials Project. Materials Data on CsSrN9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1203610

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                    The Materials Project. 2020.  
"Materials Data on CsSrN9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1203610.  https://www.osti.gov/servlets/purl/1203610. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1203610,

  title        = {Materials Data on CsSrN9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CsSrN9 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cs1+ is bonded in a 2-coordinate geometry to ten N+0.33- atoms. There are a spread of Cs–N bond distances ranging from 3.16–3.46 Å. Sr2+ is bonded in a 8-coordinate geometry to eight N+0.33- atoms. There are a spread of Sr–N bond distances ranging from 2.68–2.81 Å. There are five inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a 2-coordinate geometry to two equivalent Cs1+, one Sr2+, and one N+0.33- atom. The N–N bond length is 1.18 Å. In the second N+0.33- site, N+0.33- is bonded in a linear geometry to two equivalent N+0.33- atoms. Both N–N bond lengths are 1.18 Å. In the third N+0.33- site, N+0.33- is bonded in a distorted trigonal non-coplanar geometry to one Cs1+, one Sr2+, and one N+0.33- atom. In the fourth N+0.33- site, N+0.33- is bonded in a distorted linear geometry to one Cs1+ and two N+0.33- atoms. The N–N bond length is 1.19 Å. In the fifth N+0.33- site, N+0.33- is bonded in a distorted trigonal planar geometry to one Cs1+, two equivalent Sr2+, and one N+0.33- atom.},

  doi          = {10.17188/1203610},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1203610

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