Materials Data on Gd2USe5 by Materials Project

doi:10.17188/1672339

Title: Materials Data on Gd2USe5 by Materials Project

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Abstract

UGd2Se5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U4+ is bonded to seven Se2- atoms to form distorted edge-sharing USe7 pentagonal bipyramids. There are a spread of U–Se bond distances ranging from 2.76–2.96 Å. Gd3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Gd–Se bond distances ranging from 2.96–3.10 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent U4+ and two equivalent Gd3+ atoms. In the second Se2- site, Se2- is bonded to one U4+ and four equivalent Gd3+ atoms to form a mixture of distorted edge and corner-sharing SeGd4U trigonal bipyramids. In the third Se2- site, Se2- is bonded to one U4+ and four equivalent Gd3+ atoms to form a mixture of edge, face, and corner-sharing SeGd4U square pyramids. In the fourth Se2- site, Se2- is bonded to one U4+ and four equivalent Gd3+ atoms to form a mixture of edge, face, and corner-sharing SeGd4U square pyramids.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1198013

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; Gd2USe5; Gd-Se-U

OSTI Identifier:: 1672339

DOI:: https://doi.org/10.17188/1672339

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                    The Materials Project. Materials Data on Gd2USe5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1672339.

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                    The Materials Project. Materials Data on Gd2USe5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1672339

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                    The Materials Project. 2020.  
"Materials Data on Gd2USe5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1672339.  https://www.osti.gov/servlets/purl/1672339. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1672339,

  title        = {Materials Data on Gd2USe5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {UGd2Se5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U4+ is bonded to seven Se2- atoms to form distorted edge-sharing USe7 pentagonal bipyramids. There are a spread of U–Se bond distances ranging from 2.76–2.96 Å. Gd3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Gd–Se bond distances ranging from 2.96–3.10 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent U4+ and two equivalent Gd3+ atoms. In the second Se2- site, Se2- is bonded to one U4+ and four equivalent Gd3+ atoms to form a mixture of distorted edge and corner-sharing SeGd4U trigonal bipyramids. In the third Se2- site, Se2- is bonded to one U4+ and four equivalent Gd3+ atoms to form a mixture of edge, face, and corner-sharing SeGd4U square pyramids. In the fourth Se2- site, Se2- is bonded to one U4+ and four equivalent Gd3+ atoms to form a mixture of edge, face, and corner-sharing SeGd4U square pyramids.},

  doi          = {10.17188/1672339},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1672339

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