Materials Data on Rb2U(SeO6)2 by Materials Project

doi:10.17188/1751617

Title: Materials Data on Rb2U(SeO6)2 by Materials Project

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Abstract

Rb2U(SeO6)2 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Rb–O bond distances ranging from 2.95–3.38 Å. In the second Rb site, Rb is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Rb–O bond distances ranging from 2.89–3.42 Å. U is bonded to seven O atoms to form distorted UO7 pentagonal bipyramids that share corners with four SeO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.82–2.45 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded to four O atoms to form SeO4 tetrahedra that share corners with two equivalent UO7 pentagonal bipyramids. There are a spread of Se–O bond distances ranging from 1.65–1.71 Å. In the second Se site, Se is bonded to four O atoms to form SeO4 tetrahedra that share corners with two equivalent UO7 pentagonal bipyramids. There are a spread of Se–O bond distances ranging from 1.65–1.71 Å. There are twelve inequivalent O sites. In the first O site, O is bondedmore »« less

Publication Date:: Wed Apr 29 04:00:00 UTC 2020

Other Number(s):: mp-1199982

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; O-Rb-Se-U; Rb2U(SeO6)2; crystal structure

OSTI Identifier:: 1751617

DOI:: https://doi.org/10.17188/1751617

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                    Materials Data on Rb2U(SeO6)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1751617.

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                    Materials Data on Rb2U(SeO6)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1751617

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                    2020.  
"Materials Data on Rb2U(SeO6)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1751617.  https://www.osti.gov/servlets/purl/1751617. Pub date:Wed Apr 29 04:00:00 UTC 2020

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@article{osti_1751617,

  title        = {Materials Data on Rb2U(SeO6)2 by Materials Project},

  
  abstractNote = {Rb2U(SeO6)2 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Rb–O bond distances ranging from 2.95–3.38 Å. In the second Rb site, Rb is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Rb–O bond distances ranging from 2.89–3.42 Å. U is bonded to seven O atoms to form distorted UO7 pentagonal bipyramids that share corners with four SeO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.82–2.45 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded to four O atoms to form SeO4 tetrahedra that share corners with two equivalent UO7 pentagonal bipyramids. There are a spread of Se–O bond distances ranging from 1.65–1.71 Å. In the second Se site, Se is bonded to four O atoms to form SeO4 tetrahedra that share corners with two equivalent UO7 pentagonal bipyramids. There are a spread of Se–O bond distances ranging from 1.65–1.71 Å. There are twelve inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one Se atom. In the second O site, O is bonded in a bent 120 degrees geometry to two equivalent Rb atoms. In the third O site, O is bonded in a 2-coordinate geometry to one Rb, one U, and one Se atom. In the fourth O site, O is bonded in a 2-coordinate geometry to one Rb, one U, and one Se atom. In the fifth O site, O is bonded in a 3-coordinate geometry to one Rb, one U, and one Se atom. In the sixth O site, O is bonded in a distorted single-bond geometry to one Rb and one Se atom. In the seventh O site, O is bonded in a single-bond geometry to one U atom. In the eighth O site, O is bonded in a single-bond geometry to three Rb and one U atom. In the ninth O site, O is bonded in a distorted bent 120 degrees geometry to one U and one Se atom. In the tenth O site, O is bonded in a distorted single-bond geometry to one Rb and one U atom. In the eleventh O site, O is bonded in a distorted single-bond geometry to two Rb and one Se atom. In the twelfth O site, O is bonded in a 1-coordinate geometry to two Rb and one Se atom.},

  doi          = {10.17188/1751617},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 04:00:00 UTC 2020},

  month        = {Wed Apr 29 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1751617

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