Materials Data on USbO5 by Materials Project

doi:10.17188/1202835

Title: Materials Data on USbO5 by Materials Project

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Abstract

USbO5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. U5+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share corners with four SbO6 octahedra, edges with two SbO6 octahedra, and edges with two equivalent UO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 3–39°. There are a spread of U–O bond distances ranging from 2.00–2.51 Å. There are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent UO7 pentagonal bipyramids, and edges with two equivalent UO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 34°. There are four shorter (2.00 Å) and two longer (2.01 Å) Sb–O bond lengths. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent UO7 pentagonal bipyramids, and edges with two equivalent UO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 34°. There are a spread of Sb–O bond distances ranging from 1.99–2.01 Å. There are five inequivalent O2- sites. In the first O2- site,more »« less

Authors:: The Materials Project

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

Other Number(s):: mp-28779

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; USbO5; O-Sb-U

OSTI Identifier:: 1202835

DOI:: https://doi.org/10.17188/1202835

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                    The Materials Project. Materials Data on USbO5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202835.

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                    The Materials Project. Materials Data on USbO5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1202835

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                    The Materials Project. 2020.  
"Materials Data on USbO5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1202835.  https://www.osti.gov/servlets/purl/1202835. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1202835,

  title        = {Materials Data on USbO5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {USbO5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. U5+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share corners with four SbO6 octahedra, edges with two SbO6 octahedra, and edges with two equivalent UO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 3–39°. There are a spread of U–O bond distances ranging from 2.00–2.51 Å. There are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent UO7 pentagonal bipyramids, and edges with two equivalent UO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 34°. There are four shorter (2.00 Å) and two longer (2.01 Å) Sb–O bond lengths. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra, corners with four equivalent UO7 pentagonal bipyramids, and edges with two equivalent UO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 34°. There are a spread of Sb–O bond distances ranging from 1.99–2.01 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one U5+ and one Sb5+ atom. In the second O2- site, O2- is bonded in a linear geometry to one U5+ and one Sb5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one U5+ and two Sb5+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent U5+ and one Sb5+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent U5+ and one Sb5+ atom.},

  doi          = {10.17188/1202835},

  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/10.17188/1202835

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