Materials Data on SnH4(Cl2O)2 by Materials Project

doi:10.17188/1728338

Title: Materials Data on SnH4(Cl2O)2 by Materials Project

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Abstract

SnCl4(H2O)2 is beta Polonium-like structured and crystallizes in the orthorhombic Pbcn space group. The structure is zero-dimensional and consists of four SnCl4(H2O)2 clusters. Sn4+ is bonded in an octahedral geometry to two equivalent O2- and four Cl1- atoms. Both Sn–O bond lengths are 2.25 Å. There are two shorter (2.37 Å) and two longer (2.45 Å) Sn–Cl bond lengths. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. O2- is bonded in a distorted water-like geometry to one Sn4+ and two H1+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sn4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sn4+ atom.

Authors:: The Materials Project

Publication Date:: Sat Jan 12 00:00:00 EST 2019

Other Number(s):: mp-1198647

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; SnH4(Cl2O)2; Cl-H-O-Sn

OSTI Identifier:: 1728338

DOI:: https://doi.org/10.17188/1728338

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                    The Materials Project. Materials Data on SnH4(Cl2O)2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1728338.

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                    The Materials Project. Materials Data on SnH4(Cl2O)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1728338

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                    The Materials Project. 2019.  
"Materials Data on SnH4(Cl2O)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1728338.  https://www.osti.gov/servlets/purl/1728338. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1728338,

  title        = {Materials Data on SnH4(Cl2O)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SnCl4(H2O)2 is beta Polonium-like structured and crystallizes in the orthorhombic Pbcn space group. The structure is zero-dimensional and consists of four SnCl4(H2O)2 clusters. Sn4+ is bonded in an octahedral geometry to two equivalent O2- and four Cl1- atoms. Both Sn–O bond lengths are 2.25 Å. There are two shorter (2.37 Å) and two longer (2.45 Å) Sn–Cl bond lengths. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. O2- is bonded in a distorted water-like geometry to one Sn4+ and two H1+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sn4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sn4+ atom.},

  doi          = {10.17188/1728338},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jan 12 00:00:00 EST 2019},

  month        = {Sat Jan 12 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1728338

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