Materials Data on SbS2NCl6 by Materials Project

doi:10.17188/1268599

Title: Materials Data on SbS2NCl6 by Materials Project

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Abstract

NS2SbCl6 is Halite, Rock Salt-like structured and crystallizes in the orthorhombic Immm space group. The structure is zero-dimensional and consists of two NS2 clusters and two SbCl6 clusters. In each NS2 cluster, N5+ is bonded in a linear geometry to two equivalent S2- atoms. Both N–S bond lengths are 1.50 Å. S2- is bonded in a single-bond geometry to one N5+ atom. In each SbCl6 cluster, Sb5+ is bonded in an octahedral geometry to six Cl1- atoms. There are two shorter (2.40 Å) and four longer (2.42 Å) Sb–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-555056

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; SbS2NCl6; Cl-N-S-Sb

OSTI Identifier:: 1268599

DOI:: https://doi.org/10.17188/1268599

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                    The Materials Project. Materials Data on SbS2NCl6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1268599.

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                    The Materials Project. Materials Data on SbS2NCl6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1268599

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                    The Materials Project. 2020.  
"Materials Data on SbS2NCl6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1268599.  https://www.osti.gov/servlets/purl/1268599. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1268599,

  title        = {Materials Data on SbS2NCl6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NS2SbCl6 is Halite, Rock Salt-like structured and crystallizes in the orthorhombic Immm space group. The structure is zero-dimensional and consists of two NS2 clusters and two SbCl6 clusters. In each NS2 cluster, N5+ is bonded in a linear geometry to two equivalent S2- atoms. Both N–S bond lengths are 1.50 Å. S2- is bonded in a single-bond geometry to one N5+ atom. In each SbCl6 cluster, Sb5+ is bonded in an octahedral geometry to six Cl1- atoms. There are two shorter (2.40 Å) and four longer (2.42 Å) Sb–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom.},

  doi          = {10.17188/1268599},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1268599

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