Materials Data on UI4O15 by Materials Project

doi:10.17188/1676049

Title: Materials Data on UI4O15 by Materials Project

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Abstract

UO15I4 crystallizes in the orthorhombic Pbcn space group. The structure is two-dimensional and consists of two UO15I4 sheets oriented in the (0, 0, 1) direction. U is bonded in a distorted pentagonal bipyramidal geometry to seven O atoms. There are a spread of U–O bond distances ranging from 1.83–2.41 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one I atom. The O–I bond length is 1.85 Å. In the second O site, O is bonded in a distorted bent 120 degrees geometry to two I atoms. There are one shorter (1.85 Å) and one longer (2.45 Å) O–I bond lengths. In the third O site, O is bonded in a bent 150 degrees geometry to one U and one I atom. The O–I bond length is 1.83 Å. In the fourth O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.85 Å. In the fifth O site, O is bonded in a single-bond geometry to one U atom. In the sixth O site, O is bonded in a single-bond geometry to one U atom. In the seventh Omore »« less

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1203949

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; UI4O15; I-O-U

OSTI Identifier:: 1676049

DOI:: https://doi.org/10.17188/1676049

Citation Formats


                    The Materials Project. Materials Data on UI4O15 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1676049.

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                    The Materials Project. Materials Data on UI4O15 by Materials Project.  United States.  doi:https://doi.org/10.17188/1676049

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                    The Materials Project. 2019.  
"Materials Data on UI4O15 by Materials Project".  United States.  doi:https://doi.org/10.17188/1676049.  https://www.osti.gov/servlets/purl/1676049. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1676049,

  title        = {Materials Data on UI4O15 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {UO15I4 crystallizes in the orthorhombic Pbcn space group. The structure is two-dimensional and consists of two UO15I4 sheets oriented in the (0, 0, 1) direction. U is bonded in a distorted pentagonal bipyramidal geometry to seven O atoms. There are a spread of U–O bond distances ranging from 1.83–2.41 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one I atom. The O–I bond length is 1.85 Å. In the second O site, O is bonded in a distorted bent 120 degrees geometry to two I atoms. There are one shorter (1.85 Å) and one longer (2.45 Å) O–I bond lengths. In the third O site, O is bonded in a bent 150 degrees geometry to one U and one I atom. The O–I bond length is 1.83 Å. In the fourth O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.85 Å. In the fifth O site, O is bonded in a single-bond geometry to one U atom. In the sixth O site, O is bonded in a single-bond geometry to one U atom. In the seventh O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.86 Å. In the eighth O site, O is bonded in a bent 150 degrees geometry to one U and one I atom. The O–I bond length is 1.88 Å. There are two 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 5-coordinate geometry to four O atoms.},

  doi          = {10.17188/1676049},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1676049

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