Materials Data on Sm2(CN2)3 by Materials Project

doi:10.17188/1274463

Title: Materials Data on Sm2(CN2)3 by Materials Project

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Abstract

Sm2(CN2)3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sm3+ is bonded in a 7-coordinate geometry to seven N3- atoms. There are a spread of Sm–N bond distances ranging from 2.41–2.58 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.22 Å) and one longer (1.25 Å) C–N bond length. In the second C4+ site, C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.23 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 3-coordinate geometry to two equivalent Sm3+ and one C4+ atom. In the second N3- site, N3- is bonded to three equivalent Sm3+ and one C4+ atom to form a mixture of distorted edge and corner-sharing NSm3C tetrahedra. In the third N3- site, N3- is bonded in a 3-coordinate geometry to two equivalent Sm3+ and one C4+ atom.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-568498

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; Sm2(CN2)3; C-N-Sm

OSTI Identifier:: 1274463

DOI:: https://doi.org/10.17188/1274463

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                    The Materials Project. Materials Data on Sm2(CN2)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274463.

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                    The Materials Project. Materials Data on Sm2(CN2)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1274463

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                    The Materials Project. 2020.  
"Materials Data on Sm2(CN2)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1274463.  https://www.osti.gov/servlets/purl/1274463. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1274463,

  title        = {Materials Data on Sm2(CN2)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sm2(CN2)3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sm3+ is bonded in a 7-coordinate geometry to seven N3- atoms. There are a spread of Sm–N bond distances ranging from 2.41–2.58 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.22 Å) and one longer (1.25 Å) C–N bond length. In the second C4+ site, C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.23 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 3-coordinate geometry to two equivalent Sm3+ and one C4+ atom. In the second N3- site, N3- is bonded to three equivalent Sm3+ and one C4+ atom to form a mixture of distorted edge and corner-sharing NSm3C tetrahedra. In the third N3- site, N3- is bonded in a 3-coordinate geometry to two equivalent Sm3+ and one C4+ atom.},

  doi          = {10.17188/1274463},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1274463

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