Materials Data on Sb2N3Cl7O by Materials Project

doi:10.17188/1740285

Title: Materials Data on Sb2N3Cl7O by Materials Project

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Abstract

Sb2N3OCl7 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Sb5+ is bonded to one O2- and four Cl1- atoms to form a mixture of distorted edge and corner-sharing SbCl4O trigonal bipyramids. The Sb–O bond length is 1.97 Å. There are a spread of Sb–Cl bond distances ranging from 2.37–2.70 Å. There are four inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a linear geometry to two equivalent O2- atoms. Both N–O bond lengths are 2.69 Å. In the second N+0.33- site, N+0.33- is bonded in a square co-planar geometry to four equivalent Cl1- atoms. All N–Cl bond lengths are 3.22 Å. In the third N+0.33- site, N+0.33- is bonded in a 5-coordinate geometry to seven Cl1- atoms. There are a spread of N–Cl bond distances ranging from 3.39–3.66 Å. In the fourth N+0.33- site, N+0.33- is bonded in a distorted single-bond geometry to one Cl1- atom. The N–Cl bond length is 1.62 Å. O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Sb5+ and one N+0.33- atom. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to two equivalentmore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1179601

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; Sb2N3Cl7O; Cl-N-O-Sb

OSTI Identifier:: 1740285

DOI:: https://doi.org/10.17188/1740285

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                    The Materials Project. Materials Data on Sb2N3Cl7O by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1740285.

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                    The Materials Project. Materials Data on Sb2N3Cl7O by Materials Project.  United States.  doi:https://doi.org/10.17188/1740285

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                    The Materials Project. 2020.  
"Materials Data on Sb2N3Cl7O by Materials Project".  United States.  doi:https://doi.org/10.17188/1740285.  https://www.osti.gov/servlets/purl/1740285. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1740285,

  title        = {Materials Data on Sb2N3Cl7O by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sb2N3OCl7 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Sb5+ is bonded to one O2- and four Cl1- atoms to form a mixture of distorted edge and corner-sharing SbCl4O trigonal bipyramids. The Sb–O bond length is 1.97 Å. There are a spread of Sb–Cl bond distances ranging from 2.37–2.70 Å. There are four inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a linear geometry to two equivalent O2- atoms. Both N–O bond lengths are 2.69 Å. In the second N+0.33- site, N+0.33- is bonded in a square co-planar geometry to four equivalent Cl1- atoms. All N–Cl bond lengths are 3.22 Å. In the third N+0.33- site, N+0.33- is bonded in a 5-coordinate geometry to seven Cl1- atoms. There are a spread of N–Cl bond distances ranging from 3.39–3.66 Å. In the fourth N+0.33- site, N+0.33- is bonded in a distorted single-bond geometry to one Cl1- atom. The N–Cl bond length is 1.62 Å. O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Sb5+ and one N+0.33- atom. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to two equivalent Sb5+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to two N+0.33- atoms. In the third Cl1- site, Cl1- is bonded in a distorted linear geometry to two equivalent Sb5+ and two equivalent N+0.33- atoms. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ and one N+0.33- atom. In the fifth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Sb5+ and two N+0.33- atoms.},

  doi          = {10.17188/1740285},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1740285

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