Materials Data on UAg2(SeO4)2 by Materials Project

doi:10.17188/1270262

Title: Materials Data on UAg2(SeO4)2 by Materials Project

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Abstract

UAg2(SeO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. U6+ is bonded in a distorted pentagonal bipyramidal geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 1.82–2.46 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.34–3.14 Å. In the second Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.31–3.08 Å. There are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.73–1.77 Å. In the second Se4+ site, Se4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.72 Å) and two longer (1.74 Å) Se–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one U6+, two equivalent Ag1+, and one Se4+ atom. In the second O2- site, O2-more »« less

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-558289

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; UAg2(SeO4)2; Ag-O-Se-U

OSTI Identifier:: 1270262

DOI:: https://doi.org/10.17188/1270262

Citation Formats


                    The Materials Project. Materials Data on UAg2(SeO4)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1270262.

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                    The Materials Project. Materials Data on UAg2(SeO4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1270262

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                    The Materials Project. 2020.  
"Materials Data on UAg2(SeO4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1270262.  https://www.osti.gov/servlets/purl/1270262. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1270262,

  title        = {Materials Data on UAg2(SeO4)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {UAg2(SeO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. U6+ is bonded in a distorted pentagonal bipyramidal geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 1.82–2.46 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.34–3.14 Å. In the second Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.31–3.08 Å. There are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.73–1.77 Å. In the second Se4+ site, Se4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.72 Å) and two longer (1.74 Å) Se–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one U6+, two equivalent Ag1+, and one Se4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ and one Ag1+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one U6+, one Ag1+, and one Se4+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one U6+, one Ag1+, and one Se4+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one U6+, one Ag1+, and one Se4+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to one U6+, two Ag1+, and one Se4+ atom. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to three Ag1+ and one Se4+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one U6+ and one Ag1+ atom.},

  doi          = {10.17188/1270262},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1270262

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