Materials Data on SrH(IO3)2 by Materials Project

doi:10.17188/1683638

Title: Materials Data on SrH(IO3)2 by Materials Project

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Abstract

SrH(O3I)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sr is bonded in a 9-coordinate geometry to one H and eight O atoms. The Sr–H bond length is 2.79 Å. There are a spread of Sr–O bond distances ranging from 2.57–3.16 Å. H is bonded in a single-bond geometry to one Sr atom. There are three inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Sr and one I atom. The O–I bond length is 1.82 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one Sr and one I atom. The O–I bond length is 1.84 Å. In the third O site, O is bonded in a 1-coordinate geometry to two equivalent Sr and one I atom. The O–I bond length is 1.84 Å. I is bonded in a 3-coordinate geometry to three O atoms.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1208664

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; SrH(IO3)2; H-I-O-Sr

OSTI Identifier:: 1683638

DOI:: https://doi.org/10.17188/1683638

Citation Formats


                    The Materials Project. Materials Data on SrH(IO3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1683638.

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                    The Materials Project. Materials Data on SrH(IO3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1683638

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                    The Materials Project. 2020.  
"Materials Data on SrH(IO3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1683638.  https://www.osti.gov/servlets/purl/1683638. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1683638,

  title        = {Materials Data on SrH(IO3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrH(O3I)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sr is bonded in a 9-coordinate geometry to one H and eight O atoms. The Sr–H bond length is 2.79 Å. There are a spread of Sr–O bond distances ranging from 2.57–3.16 Å. H is bonded in a single-bond geometry to one Sr atom. There are three inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Sr and one I atom. The O–I bond length is 1.82 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one Sr and one I atom. The O–I bond length is 1.84 Å. In the third O site, O is bonded in a 1-coordinate geometry to two equivalent Sr and one I atom. The O–I bond length is 1.84 Å. I is bonded in a 3-coordinate geometry to three O atoms.},

  doi          = {10.17188/1683638},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1683638

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