Materials Data on SrH12(ClO3)2 by Materials Project

doi:10.17188/1199782

Title: Materials Data on SrH12(ClO3)2 by Materials Project

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Abstract

Sr(H2O)6Cl2 crystallizes in the trigonal P321 space group. The structure is one-dimensional and consists of two hydrochloric acid molecules and one Sr(H2O)6 ribbon oriented in the (0, 0, 1) direction. In the Sr(H2O)6 ribbon, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are three shorter (2.57 Å) and six longer (2.76 Å) Sr–O 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 0.99 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. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to two equivalent Sr2+ and two equivalent H1+ atoms. In the second O2- site, O2- is bonded in a water-like geometry to one Sr2+ and two equivalent H1+ atoms.

Publication Date:: 2020-07-14

Other Number(s):: mp-23885

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Cl-H-O-Sr; SrH12(ClO3)2; crystal structure

OSTI Identifier:: 1199782

DOI:: https://doi.org/10.17188/1199782

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                    Materials Data on SrH12(ClO3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199782.

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                    Materials Data on SrH12(ClO3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199782

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                    2020.  
"Materials Data on SrH12(ClO3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199782.  https://www.osti.gov/servlets/purl/1199782. Pub date:Tue Jul 14 04:00:00 UTC 2020

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@article{osti_1199782,

  title        = {Materials Data on SrH12(ClO3)2 by Materials Project},

  
  abstractNote = {Sr(H2O)6Cl2 crystallizes in the trigonal P321 space group. The structure is one-dimensional and consists of two hydrochloric acid molecules and one Sr(H2O)6 ribbon oriented in the (0, 0, 1) direction. In the Sr(H2O)6 ribbon, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are three shorter (2.57 Å) and six longer (2.76 Å) Sr–O 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 0.99 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. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to two equivalent Sr2+ and two equivalent H1+ atoms. In the second O2- site, O2- is bonded in a water-like geometry to one Sr2+ and two equivalent H1+ atoms.},

  doi          = {10.17188/1199782},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1199782

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