Materials Data on H7ClO3 by Materials Project

doi:10.17188/1278308

Title: Materials Data on H7ClO3 by Materials Project

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Abstract

H7O3Cl crystallizes in the monoclinic Cc space group. The structure is one-dimensional and consists of two H7O3Cl ribbons oriented in the (1, 1, 0) direction. there are seven 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 0.98 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- and one Cl1- atom. The H–O bond length is 1.02 Å. The H–Cl bond length is 1.95 Å. In the fourth 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 fifth H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.61 Å) H–O bond length. In the sixth H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- and one Cl1- atom. The H–O bond length is 1.03 Å. The H–Cl bond length is 1.91 Å. In themore »« less

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-625145

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; H7ClO3; Cl-H-O

OSTI Identifier:: 1278308

DOI:: https://doi.org/10.17188/1278308

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                    The Materials Project. Materials Data on H7ClO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1278308.

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                    The Materials Project. Materials Data on H7ClO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1278308

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                    The Materials Project. 2020.  
"Materials Data on H7ClO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1278308.  https://www.osti.gov/servlets/purl/1278308. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1278308,

  title        = {Materials Data on H7ClO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {H7O3Cl crystallizes in the monoclinic Cc space group. The structure is one-dimensional and consists of two H7O3Cl ribbons oriented in the (1, 1, 0) direction. there are seven 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 0.98 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- and one Cl1- atom. The H–O bond length is 1.02 Å. The H–Cl bond length is 1.95 Å. In the fourth 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 fifth H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.61 Å) H–O bond length. In the sixth H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- and one Cl1- atom. The H–O bond length is 1.03 Å. The H–Cl bond length is 1.91 Å. In the seventh H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.08 Å) and one longer (1.38 Å) H–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal non-coplanar geometry to three H1+ atoms. In the second O2- site, O2- is bonded in a distorted water-like geometry to three H1+ atoms. In the third O2- site, O2- is bonded in a trigonal non-coplanar geometry to three H1+ atoms. Cl1- is bonded in a bent 120 degrees geometry to two H1+ atoms.},

  doi          = {10.17188/1278308},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1278308

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