Materials Data on Cs2UHg2Se5 by Materials Project

doi:10.17188/1276179

Title: Materials Data on Cs2UHg2Se5 by Materials Project

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Abstract

Cs2Hg2USe5 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Cs1+ is bonded in a 5-coordinate geometry to five Se2- atoms. There are a spread of Cs–Se bond distances ranging from 3.62–3.78 Å. U4+ is bonded to six Se2- atoms to form edge-sharing USe6 octahedra. There are a spread of U–Se bond distances ranging from 2.87–2.89 Å. Hg2+ is bonded in a rectangular see-saw-like geometry to four Se2- atoms. There are a spread of Hg–Se bond distances ranging from 2.57–2.96 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Cs1+, one U4+, and two equivalent Hg2+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Cs1+, two equivalent U4+, and one Hg2+ atom. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent Cs1+ and two equivalent Hg2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-571275

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; Cs2UHg2Se5; Cs-Hg-Se-U

OSTI Identifier:: 1276179

DOI:: https://doi.org/10.17188/1276179

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                    The Materials Project. Materials Data on Cs2UHg2Se5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1276179.

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                    The Materials Project. Materials Data on Cs2UHg2Se5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1276179

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                    The Materials Project. 2020.  
"Materials Data on Cs2UHg2Se5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1276179.  https://www.osti.gov/servlets/purl/1276179. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1276179,

  title        = {Materials Data on Cs2UHg2Se5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cs2Hg2USe5 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Cs1+ is bonded in a 5-coordinate geometry to five Se2- atoms. There are a spread of Cs–Se bond distances ranging from 3.62–3.78 Å. U4+ is bonded to six Se2- atoms to form edge-sharing USe6 octahedra. There are a spread of U–Se bond distances ranging from 2.87–2.89 Å. Hg2+ is bonded in a rectangular see-saw-like geometry to four Se2- atoms. There are a spread of Hg–Se bond distances ranging from 2.57–2.96 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Cs1+, one U4+, and two equivalent Hg2+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Cs1+, two equivalent U4+, and one Hg2+ atom. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent Cs1+ and two equivalent Hg2+ atoms.},

  doi          = {10.17188/1276179},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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