Materials Data on Se2NCl3 by Materials Project

doi:10.17188/1276102

Title: Materials Data on Se2NCl3 by Materials Project

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Abstract

N2(Se2Cl3)2 is alpha carbon monoxide structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four ammonia molecules and four Se2Cl3 clusters. In each Se2Cl3 cluster, there are two inequivalent Se1+ sites. In the first Se1+ site, Se1+ is bonded in a distorted linear geometry to two Cl1- atoms. There are one shorter (2.22 Å) and one longer (2.70 Å) Se–Cl bond lengths. In the second Se1+ site, Se1+ is bonded in a distorted linear geometry to two Cl1- atoms. There are one shorter (2.25 Å) and one longer (2.64 Å) Se–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two Se1+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Se1+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Se1+ atom.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-571134

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; Se2NCl3; Cl-N-Se

OSTI Identifier:: 1276102

DOI:: https://doi.org/10.17188/1276102

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                    The Materials Project. Materials Data on Se2NCl3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1276102.

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                    The Materials Project. Materials Data on Se2NCl3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1276102

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                    The Materials Project. 2020.  
"Materials Data on Se2NCl3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1276102.  https://www.osti.gov/servlets/purl/1276102. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1276102,

  title        = {Materials Data on Se2NCl3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {N2(Se2Cl3)2 is alpha carbon monoxide structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four ammonia molecules and four Se2Cl3 clusters. In each Se2Cl3 cluster, there are two inequivalent Se1+ sites. In the first Se1+ site, Se1+ is bonded in a distorted linear geometry to two Cl1- atoms. There are one shorter (2.22 Å) and one longer (2.70 Å) Se–Cl bond lengths. In the second Se1+ site, Se1+ is bonded in a distorted linear geometry to two Cl1- atoms. There are one shorter (2.25 Å) and one longer (2.64 Å) Se–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two Se1+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Se1+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Se1+ atom.},

  doi          = {10.17188/1276102},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1276102

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