Materials Data on Sr5U5O18 by Materials Project

doi:10.17188/1282576

Title: Materials Data on Sr5U5O18 by Materials Project

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Abstract

Sr5U5O18 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to seven O2- atoms to form distorted SrO7 pentagonal bipyramids that share a cornercorner with one UO6 octahedra, a cornercorner with one UO7 pentagonal bipyramid, edges with two equivalent SrO7 pentagonal bipyramids, and edges with two equivalent UO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 56°. There are a spread of Sr–O bond distances ranging from 2.49–2.66 Å. In the second Sr2+ site, Sr2+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.55–2.94 Å. In the third Sr2+ site, Sr2+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.45–2.90 Å. There are three inequivalent U+5.20+ sites. In the first U+5.20+ site, U+5.20+ is bonded to six O2- atoms to form UO6 octahedra that share corners with two equivalent SrO7 pentagonal bipyramids and corners with two equivalent UO7 pentagonal bipyramids. There are a spread of U–O bond distances ranging from 2.03–2.23 Å. In the second U+5.20+more »« less

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-675076

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; Sr5U5O18; O-Sr-U

OSTI Identifier:: 1282576

DOI:: https://doi.org/10.17188/1282576

Citation Formats


                    The Materials Project. Materials Data on Sr5U5O18 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1282576.

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                    The Materials Project. Materials Data on Sr5U5O18 by Materials Project.  United States.  doi:https://doi.org/10.17188/1282576

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                    The Materials Project. 2020.  
"Materials Data on Sr5U5O18 by Materials Project".  United States.  doi:https://doi.org/10.17188/1282576.  https://www.osti.gov/servlets/purl/1282576. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1282576,

  title        = {Materials Data on Sr5U5O18 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr5U5O18 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to seven O2- atoms to form distorted SrO7 pentagonal bipyramids that share a cornercorner with one UO6 octahedra, a cornercorner with one UO7 pentagonal bipyramid, edges with two equivalent SrO7 pentagonal bipyramids, and edges with two equivalent UO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 56°. There are a spread of Sr–O bond distances ranging from 2.49–2.66 Å. In the second Sr2+ site, Sr2+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.55–2.94 Å. In the third Sr2+ site, Sr2+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.45–2.90 Å. There are three inequivalent U+5.20+ sites. In the first U+5.20+ site, U+5.20+ is bonded to six O2- atoms to form UO6 octahedra that share corners with two equivalent SrO7 pentagonal bipyramids and corners with two equivalent UO7 pentagonal bipyramids. There are a spread of U–O bond distances ranging from 2.03–2.23 Å. In the second U+5.20+ site, U+5.20+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share a cornercorner with one UO6 octahedra, a cornercorner with one SrO7 pentagonal bipyramid, edges with two equivalent SrO7 pentagonal bipyramids, and edges with two equivalent UO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 38°. There are a spread of U–O bond distances ranging from 2.00–2.63 Å. In the third U+5.20+ site, U+5.20+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 2.01–2.67 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded to three Sr2+ and one U+5.20+ atom to form a mixture of distorted edge and corner-sharing OSr3U tetrahedra. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+ and three U+5.20+ atoms. In the third O2- site, O2- is bonded to three Sr2+ and one U+5.20+ atom to form a mixture of distorted edge and corner-sharing OSr3U tetrahedra. In the fourth O2- site, O2- is bonded to three Sr2+ and one U+5.20+ atom to form a mixture of distorted edge and corner-sharing OSr3U tetrahedra. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+ and three U+5.20+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+ and three U+5.20+ atoms. In the seventh O2- site, O2- is bonded to three Sr2+ and one U+5.20+ atom to form a mixture of distorted edge and corner-sharing OSr3U tetrahedra. In the eighth O2- site, O2- is bonded to three Sr2+ and one U+5.20+ atom to form a mixture of distorted edge and corner-sharing OSr3U tetrahedra. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+ and three U+5.20+ atoms.},

  doi          = {10.17188/1282576},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1282576

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