Materials Data on UCuO6 by Materials Project

doi:10.17188/1685995

Title: Materials Data on UCuO6 by Materials Project

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Abstract

UCuO6 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one UCuO6 sheet oriented in the (1, 0, 1) direction. U is bonded to seven O atoms to form distorted edge-sharing UO7 pentagonal bipyramids. There are a spread of U–O bond distances ranging from 1.83–2.50 Å. Cu is bonded in a rectangular see-saw-like geometry to four O atoms. There are a spread of Cu–O bond distances ranging from 1.79–1.84 Å. There are six inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one U atom. In the second O site, O is bonded in a single-bond geometry to one U atom. In the third O site, O is bonded in a distorted water-like geometry to one U and one Cu atom. In the fourth O site, O is bonded in a distorted T-shaped geometry to one U and two equivalent Cu atoms. In the fifth O site, O is bonded in a bent 120 degrees geometry to two equivalent U atoms. In the sixth O site, O is bonded in a bent 150 degrees geometry to one U and one Cu atom.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1188600

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; UCuO6; Cu-O-U

OSTI Identifier:: 1685995

DOI:: https://doi.org/10.17188/1685995

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                    The Materials Project. Materials Data on UCuO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1685995.

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                    The Materials Project. Materials Data on UCuO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1685995

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                    The Materials Project. 2020.  
"Materials Data on UCuO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1685995.  https://www.osti.gov/servlets/purl/1685995. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1685995,

  title        = {Materials Data on UCuO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {UCuO6 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one UCuO6 sheet oriented in the (1, 0, 1) direction. U is bonded to seven O atoms to form distorted edge-sharing UO7 pentagonal bipyramids. There are a spread of U–O bond distances ranging from 1.83–2.50 Å. Cu is bonded in a rectangular see-saw-like geometry to four O atoms. There are a spread of Cu–O bond distances ranging from 1.79–1.84 Å. There are six inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one U atom. In the second O site, O is bonded in a single-bond geometry to one U atom. In the third O site, O is bonded in a distorted water-like geometry to one U and one Cu atom. In the fourth O site, O is bonded in a distorted T-shaped geometry to one U and two equivalent Cu atoms. In the fifth O site, O is bonded in a bent 120 degrees geometry to two equivalent U atoms. In the sixth O site, O is bonded in a bent 150 degrees geometry to one U and one Cu atom.},

  doi          = {10.17188/1685995},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1685995

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