Materials Data on SrI2 by Materials Project

doi:10.17188/1274342

Title: Materials Data on SrI2 by Materials Project

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Abstract

SrI2 is Baddeleyite-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded to seven I1- atoms to form a mixture of distorted corner and edge-sharing SrI7 pentagonal bipyramids. There are a spread of Sr–I bond distances ranging from 3.33–3.49 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded to four equivalent Sr2+ atoms to form a mixture of distorted corner and edge-sharing ISr4 trigonal pyramids. In the second I1- site, I1- is bonded in a trigonal non-coplanar geometry to three equivalent Sr2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-17

Other Number(s):: mp-568284

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; SrI2; I-Sr

OSTI Identifier:: 1274342

DOI:: https://doi.org/10.17188/1274342

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                    The Materials Project. Materials Data on SrI2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274342.

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                    The Materials Project. Materials Data on SrI2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1274342

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                    The Materials Project. 2020.  
"Materials Data on SrI2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1274342.  https://www.osti.gov/servlets/purl/1274342. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1274342,

  title        = {Materials Data on SrI2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrI2 is Baddeleyite-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded to seven I1- atoms to form a mixture of distorted corner and edge-sharing SrI7 pentagonal bipyramids. There are a spread of Sr–I bond distances ranging from 3.33–3.49 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded to four equivalent Sr2+ atoms to form a mixture of distorted corner and edge-sharing ISr4 trigonal pyramids. In the second I1- site, I1- is bonded in a trigonal non-coplanar geometry to three equivalent Sr2+ atoms.},

  doi          = {10.17188/1274342},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1274342

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