Materials Data on Sn2H21C6ClO2 by Materials Project

doi:10.17188/1277426

Title: Materials Data on Sn2H21C6ClO2 by Materials Project

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Abstract

(SnC3H9O)2H2HCl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four hydrochloric acid molecules, four hydrogen molecules, and four SnC3H9O clusters. In each SnC3H9O cluster, there are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded in a distorted tetrahedral geometry to three C4- and one O2- atom. There are two shorter (2.16 Å) and one longer (2.18 Å) Sn–C bond lengths. The Sn–O bond length is 2.07 Å. In the second Sn4+ site, Sn4+ is bonded in a tetrahedral geometry to three C4- and one O2- atom. There are two shorter (2.16 Å) and one longer (2.17 Å) Sn–C bond lengths. The Sn–O bond length is 2.05 Å. There are six inequivalent C4- sites. In the first C4- site, C4- is bonded in a distorted trigonal non-coplanar geometry to one Sn4+ and three H1+ atoms. All C–H bond lengths are 1.10 Å. In the second C4- site, C4- is bonded in a distorted trigonal non-coplanar geometry to one Sn4+ and three H1+ atoms. All C–H bond lengths are 1.10 Å. In the third C4- site, C4- is bonded in a distorted trigonal non-coplanar geometry to one Sn4+ and three H1+ atoms.more »« less

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-605078

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; Sn2H21C6ClO2; C-Cl-H-O-Sn

OSTI Identifier:: 1277426

DOI:: https://doi.org/10.17188/1277426

Citation Formats


                    The Materials Project. Materials Data on Sn2H21C6ClO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1277426.

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                    The Materials Project. Materials Data on Sn2H21C6ClO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1277426

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                    The Materials Project. 2020.  
"Materials Data on Sn2H21C6ClO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1277426.  https://www.osti.gov/servlets/purl/1277426. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1277426,

  title        = {Materials Data on Sn2H21C6ClO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(SnC3H9O)2H2HCl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four hydrochloric acid molecules, four hydrogen molecules, and four SnC3H9O clusters. In each SnC3H9O cluster, there are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded in a distorted tetrahedral geometry to three C4- and one O2- atom. There are two shorter (2.16 Å) and one longer (2.18 Å) Sn–C bond lengths. The Sn–O bond length is 2.07 Å. In the second Sn4+ site, Sn4+ is bonded in a tetrahedral geometry to three C4- and one O2- atom. There are two shorter (2.16 Å) and one longer (2.17 Å) Sn–C bond lengths. The Sn–O bond length is 2.05 Å. There are six inequivalent C4- sites. In the first C4- site, C4- is bonded in a distorted trigonal non-coplanar geometry to one Sn4+ and three H1+ atoms. All C–H bond lengths are 1.10 Å. In the second C4- site, C4- is bonded in a distorted trigonal non-coplanar geometry to one Sn4+ and three H1+ atoms. All C–H bond lengths are 1.10 Å. In the third C4- site, C4- is bonded in a distorted trigonal non-coplanar geometry to one Sn4+ and three H1+ atoms. All C–H bond lengths are 1.10 Å. In the fourth C4- site, C4- is bonded in a distorted trigonal non-coplanar geometry to one Sn4+ and three H1+ atoms. All C–H bond lengths are 1.10 Å. In the fifth C4- site, C4- is bonded in a distorted trigonal non-coplanar geometry to one Sn4+ and three H1+ atoms. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. In the sixth C4- site, C4- is bonded in a distorted trigonal non-coplanar geometry to one Sn4+ and three H1+ atoms. All C–H bond lengths are 1.10 Å. There are eighteen inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the eleventh H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the twelfth H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the thirteenth H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the fourteenth H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the fifteenth H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the sixteenth H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the seventeenth H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the eighteenth H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Sn4+ and one O2- atom. The O–O bond length is 1.50 Å. In the second O2- site, O2- is bonded in an L-shaped geometry to one Sn4+ and one O2- atom.},

  doi          = {10.17188/1277426},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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