Materials Data on BiI3O11 by Materials Project

doi:10.17188/1734189

Title: Materials Data on BiI3O11 by Materials Project

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Abstract

BiO11I3 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one BiO11I3 sheet oriented in the (0, 1, 0) direction. Bi is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Bi–O bond distances ranging from 2.33–2.57 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Bi and one I atom. The O–I bond length is 1.86 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one Bi and one I atom. The O–I bond length is 1.85 Å. In the third O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.81 Å. In the fourth O site, O is bonded in a bent 120 degrees geometry to one Bi and one I atom. The O–I bond length is 1.86 Å. In the fifth O site, O is bonded in a 1-coordinate geometry to one Bi and one I atom. The O–I bond length is 1.85 Å. In the sixth O site, O is bonded in a 2-coordinate geometry tomore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1194377

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; BiI3O11; Bi-I-O

OSTI Identifier:: 1734189

DOI:: https://doi.org/10.17188/1734189

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                    The Materials Project. Materials Data on BiI3O11 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1734189.

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                    The Materials Project. Materials Data on BiI3O11 by Materials Project.  United States.  doi:https://doi.org/10.17188/1734189

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                    The Materials Project. 2020.  
"Materials Data on BiI3O11 by Materials Project".  United States.  doi:https://doi.org/10.17188/1734189.  https://www.osti.gov/servlets/purl/1734189. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1734189,

  title        = {Materials Data on BiI3O11 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BiO11I3 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one BiO11I3 sheet oriented in the (0, 1, 0) direction. Bi is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Bi–O bond distances ranging from 2.33–2.57 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Bi and one I atom. The O–I bond length is 1.86 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one Bi and one I atom. The O–I bond length is 1.85 Å. In the third O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.81 Å. In the fourth O site, O is bonded in a bent 120 degrees geometry to one Bi and one I atom. The O–I bond length is 1.86 Å. In the fifth O site, O is bonded in a 1-coordinate geometry to one Bi and one I atom. The O–I bond length is 1.85 Å. In the sixth O site, O is bonded in a 2-coordinate geometry to one Bi and one I atom. The O–I bond length is 1.84 Å. In the seventh O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.84 Å. In the eighth O site, O is bonded in a 1-coordinate geometry to one Bi and two I atoms. There are one shorter (1.85 Å) and one longer (2.67 Å) O–I bond lengths. In the ninth O site, O is bonded in a bent 120 degrees geometry to one Bi and one I atom. The O–I bond length is 1.85 Å. In the tenth O site, O is bonded in a single-bond geometry to one Bi atom. In the eleventh O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 2.78 Å. There are three inequivalent I sites. In the first I site, I is bonded in a distorted trigonal non-coplanar geometry to three O atoms. In the second I site, I is bonded in a 3-coordinate geometry to five O atoms. In the third I site, I is bonded in a 3-coordinate geometry to three O atoms.},

  doi          = {10.17188/1734189},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1734189

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