Materials Data on SrSn2Br6O5 by Materials Project

doi:10.17188/1718529

Title: Materials Data on SrSn2Br6O5 by Materials Project

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Abstract

SrSn2O5Br6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sr2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Sr–O bond distances ranging from 2.35–2.95 Å. Sn4+ is bonded in a 4-coordinate geometry to one O2- and three Br atoms. The Sn–O bond length is 1.90 Å. There are a spread of Sn–Br bond distances ranging from 2.51–2.69 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+, one O2-, and one Br atom. The O–O bond length is 1.23 Å. The O–Br bond length is 2.94 Å. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Sr2+ and one Sn4+ atom. In the third O2- site, O2- is bonded in a T-shaped geometry to one Sr2+ and two equivalent Br atoms. Both O–Br bond lengths are 2.16 Å. There are three inequivalent Br sites. In the first Br site, Br is bonded in a single-bond geometry to one Sn4+ atom. In the second Br site, Br is bonded in a water-like geometry to one Sn4+ and one O2- atom. In themore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1209050

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; SrSn2Br6O5; Br-O-Sn-Sr

OSTI Identifier:: 1718529

DOI:: https://doi.org/10.17188/1718529

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                    The Materials Project. Materials Data on SrSn2Br6O5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1718529.

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                    The Materials Project. Materials Data on SrSn2Br6O5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1718529

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                    The Materials Project. 2020.  
"Materials Data on SrSn2Br6O5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1718529.  https://www.osti.gov/servlets/purl/1718529. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1718529,

  title        = {Materials Data on SrSn2Br6O5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrSn2O5Br6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sr2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Sr–O bond distances ranging from 2.35–2.95 Å. Sn4+ is bonded in a 4-coordinate geometry to one O2- and three Br atoms. The Sn–O bond length is 1.90 Å. There are a spread of Sn–Br bond distances ranging from 2.51–2.69 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+, one O2-, and one Br atom. The O–O bond length is 1.23 Å. The O–Br bond length is 2.94 Å. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Sr2+ and one Sn4+ atom. In the third O2- site, O2- is bonded in a T-shaped geometry to one Sr2+ and two equivalent Br atoms. Both O–Br bond lengths are 2.16 Å. There are three inequivalent Br sites. In the first Br site, Br is bonded in a single-bond geometry to one Sn4+ atom. In the second Br site, Br is bonded in a water-like geometry to one Sn4+ and one O2- atom. In the third Br site, Br is bonded in a bent 120 degrees geometry to one Sn4+ and one O2- atom.},

  doi          = {10.17188/1718529},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1718529

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