Materials Data on SrU(SeO4)2 by Materials Project

doi:10.17188/1269372

Title: Materials Data on SrU(SeO4)2 by Materials Project

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Abstract

SrU(SeO4)2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one SrU(SeO4)2 sheet oriented in the (-1, 0, 1) direction. Sr2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Sr–O bond distances ranging from 2.18–2.62 Å. U6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of U–O bond distances ranging from 2.01–2.40 Å. There are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.66–1.98 Å. In the second Se4+ site, Se4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.67–1.84 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent U6+ and one Se4+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one U6+ and one Se4+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the fourthmore »« less

Authors:: The Materials Project

Publication Date:: 2014-02-22

Other Number(s):: mp-556481

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; SrU(SeO4)2; O-Se-Sr-U

OSTI Identifier:: 1269372

DOI:: https://doi.org/10.17188/1269372

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                    The Materials Project. Materials Data on SrU(SeO4)2 by Materials Project.  United States: N. p., 2014. 
        Web.  doi:10.17188/1269372.

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                    The Materials Project. Materials Data on SrU(SeO4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1269372

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                    The Materials Project. 2014.  
"Materials Data on SrU(SeO4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1269372.  https://www.osti.gov/servlets/purl/1269372. Pub date:Sat Feb 22 00:00:00 EST 2014

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@article{osti_1269372,

  title        = {Materials Data on SrU(SeO4)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrU(SeO4)2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one SrU(SeO4)2 sheet oriented in the (-1, 0, 1) direction. Sr2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Sr–O bond distances ranging from 2.18–2.62 Å. U6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of U–O bond distances ranging from 2.01–2.40 Å. There are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.66–1.98 Å. In the second Se4+ site, Se4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.67–1.84 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent U6+ and one Se4+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one U6+ and one Se4+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sr2+ and one Se4+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Sr2+ and one Se4+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sr2+ and one Se4+ atom. In the eighth O2- site, O2- is bonded in an L-shaped geometry to one U6+ and one Se4+ atom.},

  doi          = {10.17188/1269372},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2014},

  month        = {2}

}

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DOI: https://doi.org/10.17188/1269372

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