Materials Data on Sm6U3O17 by Materials Project

doi:10.17188/1676341

Title: Materials Data on Sm6U3O17 by Materials Project

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Abstract

U3Sm6O17 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent U+5.33+ sites. In the first U+5.33+ site, U+5.33+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.12–2.42 Å. In the second U+5.33+ site, U+5.33+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.23–2.39 Å. There are three inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.37–2.49 Å. In the second Sm3+ site, Sm3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sm–O bond distances ranging from 2.31–2.43 Å. In the third Sm3+ site, Sm3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sm–O bond distances ranging from 2.32–2.43 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded to one U+5.33+ and three Sm3+ atoms to form a mixture of corner and edge-sharing OSm3U tetrahedra. In themore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1173414

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; Sm6U3O17; O-Sm-U

OSTI Identifier:: 1676341

DOI:: https://doi.org/10.17188/1676341

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                    The Materials Project. Materials Data on Sm6U3O17 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1676341.

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                    The Materials Project. Materials Data on Sm6U3O17 by Materials Project.  United States.  doi:https://doi.org/10.17188/1676341

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                    The Materials Project. 2020.  
"Materials Data on Sm6U3O17 by Materials Project".  United States.  doi:https://doi.org/10.17188/1676341.  https://www.osti.gov/servlets/purl/1676341. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1676341,

  title        = {Materials Data on Sm6U3O17 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {U3Sm6O17 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent U+5.33+ sites. In the first U+5.33+ site, U+5.33+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.12–2.42 Å. In the second U+5.33+ site, U+5.33+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.23–2.39 Å. There are three inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.37–2.49 Å. In the second Sm3+ site, Sm3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sm–O bond distances ranging from 2.31–2.43 Å. In the third Sm3+ site, Sm3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sm–O bond distances ranging from 2.32–2.43 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded to one U+5.33+ and three Sm3+ atoms to form a mixture of corner and edge-sharing OSm3U tetrahedra. In the second O2- site, O2- is bonded to one U+5.33+ and three Sm3+ atoms to form a mixture of corner and edge-sharing OSm3U tetrahedra. In the third O2- site, O2- is bonded to one U+5.33+ and three Sm3+ atoms to form OSm3U tetrahedra that share corners with thirteen OSm3U tetrahedra and edges with six OSm2U2 tetrahedra. In the fourth O2- site, O2- is bonded to two U+5.33+ and two Sm3+ atoms to form OSm2U2 tetrahedra that share corners with fifteen OSm3U tetrahedra and edges with six OSm2U2 tetrahedra. In the fifth O2- site, O2- is bonded to two U+5.33+ and two equivalent Sm3+ atoms to form OSm2U2 tetrahedra that share corners with sixteen OSm3U tetrahedra and edges with six OSm2U2 tetrahedra. In the sixth O2- site, O2- is bonded to two U+5.33+ and two equivalent Sm3+ atoms to form a mixture of corner and edge-sharing OSm2U2 tetrahedra. In the seventh O2- site, O2- is bonded to two U+5.33+ and two Sm3+ atoms to form a mixture of corner and edge-sharing OSm2U2 tetrahedra. In the eighth O2- site, O2- is bonded to one U+5.33+ and three Sm3+ atoms to form a mixture of corner and edge-sharing OSm3U tetrahedra. In the ninth O2- site, O2- is bonded to four Sm3+ atoms to form a mixture of corner and edge-sharing OSm4 tetrahedra.},

  doi          = {10.17188/1676341},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1676341

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