Materials Data on H7SIO10 by Materials Project

doi:10.17188/1308416

Title: Materials Data on H7SIO10 by Materials Project

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Abstract

H7SO10I crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. there are seven inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to two O atoms. There is one shorter (1.01 Å) and one longer (1.71 Å) H–O bond length. In the second H site, H is bonded in a distorted single-bond geometry to two O atoms. There is one shorter (1.01 Å) and one longer (1.67 Å) H–O bond length. In the third H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.01 Å. In the fourth H site, H is bonded in a single-bond geometry to two O atoms. There is one shorter (1.01 Å) and one longer (1.74 Å) H–O bond length. In the fifth H site, H is bonded in a distorted single-bond geometry to two O atoms. There is one shorter (1.01 Å) and one longer (1.68 Å) H–O bond length. In the sixth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.00 Å. In the seventh H site, H is bonded in a single-bond geometry to onemore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-849800

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; H7SIO10; H-I-O-S

OSTI Identifier:: 1308416

DOI:: https://doi.org/10.17188/1308416

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                    The Materials Project. Materials Data on H7SIO10 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1308416.

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                    The Materials Project. Materials Data on H7SIO10 by Materials Project.  United States.  doi:https://doi.org/10.17188/1308416

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                    The Materials Project. 2020.  
"Materials Data on H7SIO10 by Materials Project".  United States.  doi:https://doi.org/10.17188/1308416.  https://www.osti.gov/servlets/purl/1308416. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1308416,

  title        = {Materials Data on H7SIO10 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {H7SO10I crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. there are seven inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to two O atoms. There is one shorter (1.01 Å) and one longer (1.71 Å) H–O bond length. In the second H site, H is bonded in a distorted single-bond geometry to two O atoms. There is one shorter (1.01 Å) and one longer (1.67 Å) H–O bond length. In the third H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.01 Å. In the fourth H site, H is bonded in a single-bond geometry to two O atoms. There is one shorter (1.01 Å) and one longer (1.74 Å) H–O bond length. In the fifth H site, H is bonded in a distorted single-bond geometry to two O atoms. There is one shorter (1.01 Å) and one longer (1.68 Å) H–O bond length. In the sixth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.00 Å. In the seventh H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.01 Å. S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.47–1.57 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two H and one S atom. In the second O site, O is bonded in a distorted single-bond geometry to one H and one I atom. The O–I bond length is 1.90 Å. In the third O site, O is bonded in a distorted single-bond geometry to one S atom. In the fourth O site, O is bonded in a distorted water-like geometry to one H and one I atom. The O–I bond length is 1.92 Å. In the fifth O site, O is bonded in a distorted water-like geometry to one H and one I atom. The O–I bond length is 1.90 Å. In the sixth O site, O is bonded in a distorted single-bond geometry to two H and one S atom. In the seventh O site, O is bonded in a distorted single-bond geometry to one H and one I atom. The O–I bond length is 1.93 Å. In the eighth O site, O is bonded in a distorted water-like geometry to one H and one I atom. The O–I bond length is 1.92 Å. In the ninth O site, O is bonded in a bent 120 degrees geometry to one H and one S atom. In the tenth O site, O is bonded in a distorted single-bond geometry to one H and one I atom. The O–I bond length is 1.90 Å. I is bonded in an octahedral geometry to six O atoms.},

  doi          = {10.17188/1308416},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1308416

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