Materials Data on U6Cu2S13 by Materials Project

doi:10.17188/1202474

Title: Materials Data on U6Cu2S13 by Materials Project

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Abstract

U6Cu2S13 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent U4+ sites. In the first U4+ site, U4+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of U–S bond distances ranging from 2.68–2.89 Å. In the second U4+ site, U4+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of U–S bond distances ranging from 2.69–2.91 Å. In the third U4+ site, U4+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of U–S bond distances ranging from 2.75–2.88 Å. Cu1+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of Cu–S bond distances ranging from 2.18–2.24 Å. There are seven inequivalent S2- sites. In the first S2- site, S2- is bonded in an octahedral geometry to six U4+ atoms. In the second S2- site, S2- is bonded in a rectangular see-saw-like geometry to four U4+ atoms. In the third S2- site, S2- is bonded in a 4-coordinate geometry to three U4+ and one Cu1+ atom. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to three U4+ and onemore »« less

Authors:: The Materials Project

Publication Date:: Fri May 01 00:00:00 EDT 2020

Other Number(s):: mp-28356

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; U6Cu2S13; Cu-S-U

OSTI Identifier:: 1202474

DOI:: https://doi.org/10.17188/1202474

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                    The Materials Project. Materials Data on U6Cu2S13 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202474.

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                    The Materials Project. Materials Data on U6Cu2S13 by Materials Project.  United States.  doi:https://doi.org/10.17188/1202474

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                    The Materials Project. 2020.  
"Materials Data on U6Cu2S13 by Materials Project".  United States.  doi:https://doi.org/10.17188/1202474.  https://www.osti.gov/servlets/purl/1202474. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1202474,

  title        = {Materials Data on U6Cu2S13 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {U6Cu2S13 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent U4+ sites. In the first U4+ site, U4+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of U–S bond distances ranging from 2.68–2.89 Å. In the second U4+ site, U4+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of U–S bond distances ranging from 2.69–2.91 Å. In the third U4+ site, U4+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of U–S bond distances ranging from 2.75–2.88 Å. Cu1+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of Cu–S bond distances ranging from 2.18–2.24 Å. There are seven inequivalent S2- sites. In the first S2- site, S2- is bonded in an octahedral geometry to six U4+ atoms. In the second S2- site, S2- is bonded in a rectangular see-saw-like geometry to four U4+ atoms. In the third S2- site, S2- is bonded in a 4-coordinate geometry to three U4+ and one Cu1+ atom. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to three U4+ and one Cu1+ atom. In the fifth S2- site, S2- is bonded in a rectangular see-saw-like geometry to four U4+ atoms. In the sixth S2- site, S2- is bonded in a 4-coordinate geometry to three U4+ and one Cu1+ atom. In the seventh S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to four U4+ atoms.},

  doi          = {10.17188/1202474},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri May 01 00:00:00 EDT 2020},

  month        = {Fri May 01 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1202474

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