Materials Data on UCd3O6 by Materials Project

doi:10.17188/1289533

Title: Materials Data on UCd3O6 by Materials Project

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Abstract

UCd3O6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with six equivalent CdO6 octahedra. The corner-sharing octahedra tilt angles range from 40–46°. There are four shorter (2.07 Å) and two longer (2.18 Å) U–O bond lengths. There are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with six equivalent UO6 octahedra. The corner-sharing octahedra tilt angles range from 40–46°. There are a spread of Cd–O bond distances ranging from 2.27–2.39 Å. In the second Cd2+ site, Cd2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Cd–O bond distances ranging from 2.25–2.30 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one U6+ and three Cd2+ atoms to form distorted corner-sharing OUCd3 trigonal pyramids. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one U6+ and two Cd2+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one U6+ and two Cd2+ atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-754725

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; UCd3O6; Cd-O-U

OSTI Identifier:: 1289533

DOI:: https://doi.org/10.17188/1289533

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                    The Materials Project. Materials Data on UCd3O6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1289533.

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                    The Materials Project. Materials Data on UCd3O6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1289533

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                    The Materials Project. 2020.  
"Materials Data on UCd3O6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1289533.  https://www.osti.gov/servlets/purl/1289533. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1289533,

  title        = {Materials Data on UCd3O6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {UCd3O6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with six equivalent CdO6 octahedra. The corner-sharing octahedra tilt angles range from 40–46°. There are four shorter (2.07 Å) and two longer (2.18 Å) U–O bond lengths. There are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with six equivalent UO6 octahedra. The corner-sharing octahedra tilt angles range from 40–46°. There are a spread of Cd–O bond distances ranging from 2.27–2.39 Å. In the second Cd2+ site, Cd2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Cd–O bond distances ranging from 2.25–2.30 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one U6+ and three Cd2+ atoms to form distorted corner-sharing OUCd3 trigonal pyramids. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one U6+ and two Cd2+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one U6+ and two Cd2+ atoms.},

  doi          = {10.17188/1289533},

  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/10.17188/1289533

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