Materials Data on YI3O11 by Materials Project

doi:10.17188/1746593

Title: Materials Data on YI3O11 by Materials Project

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Abstract

YO11I3 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one YO11I3 sheet oriented in the (0, 1, 0) direction. Y is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Y–O bond distances ranging from 2.34–2.43 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one Y and one I atom. The O–I bond length is 1.85 Å. In the second O site, O is bonded in a distorted single-bond geometry to one I atom. The O–I bond length is 1.84 Å. In the third O site, O is bonded in a bent 120 degrees geometry to one Y and one I atom. The O–I bond length is 1.84 Å. In the fourth 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 fifth O site, O is bonded in a bent 120 degrees geometry to one Y and one I atom. The O–I bond length is 1.85 Å. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Ymore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1193563

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; YI3O11; I-O-Y

OSTI Identifier:: 1746593

DOI:: https://doi.org/10.17188/1746593

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                    The Materials Project. Materials Data on YI3O11 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1746593.

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                    The Materials Project. Materials Data on YI3O11 by Materials Project.  United States.  doi:https://doi.org/10.17188/1746593

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                    The Materials Project. 2020.  
"Materials Data on YI3O11 by Materials Project".  United States.  doi:https://doi.org/10.17188/1746593.  https://www.osti.gov/servlets/purl/1746593. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1746593,

  title        = {Materials Data on YI3O11 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {YO11I3 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one YO11I3 sheet oriented in the (0, 1, 0) direction. Y is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Y–O bond distances ranging from 2.34–2.43 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one Y and one I atom. The O–I bond length is 1.85 Å. In the second O site, O is bonded in a distorted single-bond geometry to one I atom. The O–I bond length is 1.84 Å. In the third O site, O is bonded in a bent 120 degrees geometry to one Y and one I atom. The O–I bond length is 1.84 Å. In the fourth 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 fifth O site, O is bonded in a bent 120 degrees geometry to one Y and one I atom. The O–I bond length is 1.85 Å. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Y and one I atom. The O–I bond length is 1.84 Å. In the seventh O site, O is bonded in a bent 120 degrees geometry to one Y and one I atom. The O–I bond length is 1.85 Å. In the eighth O site, O is bonded in a bent 150 degrees geometry to one Y and one I atom. The O–I bond length is 1.83 Å. In the ninth O site, O is bonded in a bent 150 degrees geometry to one Y 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 Y atom. In the eleventh O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 2.77 Å. There are three inequivalent I sites. In the first I site, I is bonded in a 3-coordinate geometry to three O atoms. In the second I site, I is bonded in a trigonal non-coplanar geometry to three O atoms. In the third I site, I is bonded in a 3-coordinate geometry to four O atoms.},

  doi          = {10.17188/1746593},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1746593

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