Materials Data on La3U2O10 by Materials Project

doi:10.17188/1283080

Title: Materials Data on La3U2O10 by Materials Project

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Abstract

U2La3O10 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. U+5.50+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.15–2.57 Å. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.43–2.53 Å. In the second La3+ site, La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.49 Å) and four longer (2.50 Å) La–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent U+5.50+ and two equivalent La3+ atoms to form a mixture of edge and corner-sharing OLa2U2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent U+5.50+ and two La3+ atoms to form a mixture of distorted edge and corner-sharing OLa2U2 tetrahedra. In the third O2- site, O2- is bonded to one U+5.50+ and three La3+ atoms to form a mixture of distorted edge and corner-sharing OLa3U tetrahedra.

Authors:: The Materials Project

Publication Date:: Wed Jul 22 00:00:00 EDT 2020

Other Number(s):: mp-676517

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; La3U2O10; La-O-U

OSTI Identifier:: 1283080

DOI:: https://doi.org/10.17188/1283080

Citation Formats


                    The Materials Project. Materials Data on La3U2O10 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1283080.

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                    The Materials Project. Materials Data on La3U2O10 by Materials Project.  United States.  doi:https://doi.org/10.17188/1283080

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                    The Materials Project. 2020.  
"Materials Data on La3U2O10 by Materials Project".  United States.  doi:https://doi.org/10.17188/1283080.  https://www.osti.gov/servlets/purl/1283080. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1283080,

  title        = {Materials Data on La3U2O10 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {U2La3O10 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. U+5.50+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.15–2.57 Å. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.43–2.53 Å. In the second La3+ site, La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.49 Å) and four longer (2.50 Å) La–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent U+5.50+ and two equivalent La3+ atoms to form a mixture of edge and corner-sharing OLa2U2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent U+5.50+ and two La3+ atoms to form a mixture of distorted edge and corner-sharing OLa2U2 tetrahedra. In the third O2- site, O2- is bonded to one U+5.50+ and three La3+ atoms to form a mixture of distorted edge and corner-sharing OLa3U tetrahedra.},

  doi          = {10.17188/1283080},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 22 00:00:00 EDT 2020},

  month        = {Wed Jul 22 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1283080

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