Materials Data on Sm4U2O11 by Materials Project

doi:10.17188/1290423

Title: Materials Data on Sm4U2O11 by Materials Project

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Abstract

U2Sm4O11 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. U5+ is bonded in a 8-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 2.16–2.42 Å. There are two inequivalent Sm3+ sites. In the first 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 2.30–2.46 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 2.29–2.46 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded to four Sm3+ atoms to form a mixture of edge and corner-sharing OSm4 tetrahedra. In the second O2- site, O2- is bonded to one U5+ and three Sm3+ atoms to form distorted OSm3U tetrahedra that share corners with ten OSm4 tetrahedra and edges with five OSm3U tetrahedra. In the third O2- site, O2- is bonded to two equivalent U5+ and two Sm3+ atoms to form a mixture of edge and corner-sharing OSm2U2 tetrahedra. In the fourth O2- site, O2- is bonded to two equivalent U5+ and two equivalent Sm3+more »« less

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-756152

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; Sm4U2O11; O-Sm-U

OSTI Identifier:: 1290423

DOI:: https://doi.org/10.17188/1290423

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                    The Materials Project. Materials Data on Sm4U2O11 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1290423.

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                    The Materials Project. Materials Data on Sm4U2O11 by Materials Project.  United States.  doi:https://doi.org/10.17188/1290423

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                    The Materials Project. 2020.  
"Materials Data on Sm4U2O11 by Materials Project".  United States.  doi:https://doi.org/10.17188/1290423.  https://www.osti.gov/servlets/purl/1290423. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1290423,

  title        = {Materials Data on Sm4U2O11 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {U2Sm4O11 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. U5+ is bonded in a 8-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 2.16–2.42 Å. There are two inequivalent Sm3+ sites. In the first 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 2.30–2.46 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 2.29–2.46 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded to four Sm3+ atoms to form a mixture of edge and corner-sharing OSm4 tetrahedra. In the second O2- site, O2- is bonded to one U5+ and three Sm3+ atoms to form distorted OSm3U tetrahedra that share corners with ten OSm4 tetrahedra and edges with five OSm3U tetrahedra. In the third O2- site, O2- is bonded to two equivalent U5+ and two Sm3+ atoms to form a mixture of edge and corner-sharing OSm2U2 tetrahedra. In the fourth O2- site, O2- is bonded to two equivalent U5+ and two equivalent Sm3+ atoms to form OSm2U2 tetrahedra that share corners with eight OSm3U tetrahedra and edges with six OSm2U2 tetrahedra. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one U5+ and two Sm3+ atoms. In the sixth O2- site, O2- is bonded to two equivalent U5+ and two equivalent Sm3+ atoms to form OSm2U2 tetrahedra that share corners with twelve OSm4 tetrahedra and edges with four OSm3U tetrahedra. In the seventh O2- site, O2- is bonded to one U5+ and three Sm3+ atoms to form OSm3U tetrahedra that share corners with ten OSm4 tetrahedra and edges with five OSm2U2 tetrahedra.},

  doi          = {10.17188/1290423},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1290423

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