Materials Data on MgU2(SiO9)2 by Materials Project

doi:10.17188/1689500

Title: Materials Data on MgU2(SiO9)2 by Materials Project

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Abstract

MgU2(SiO9)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded in a square co-planar geometry to eight O atoms. There are a spread of Mg–O bond distances ranging from 2.03–2.73 Å. U is bonded to seven O atoms to form distorted UO7 pentagonal bipyramids that share corners with three equivalent SiO4 trigonal pyramids, edges with two equivalent UO7 pentagonal bipyramids, and an edgeedge with one SiO4 trigonal pyramid. There are a spread of U–O bond distances ranging from 1.79–2.56 Å. Si is bonded to four O atoms to form distorted SiO4 trigonal pyramids that share corners with three equivalent UO7 pentagonal bipyramids and an edgeedge with one UO7 pentagonal bipyramid. There are a spread of Si–O bond distances ranging from 1.58–2.08 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to one Si and two equivalent O atoms. Both O–O bond lengths are 1.34 Å. In the second O site, O is bonded in a bent 150 degrees geometry to one Mg and one U atom. In the third O site, O is bonded in a 1-coordinate geometry to two equivalent U and onemore »« less

Publication Date:: Fri Jan 11 23:00:00 EST 2019

Other Number(s):: mp-1211186

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; Mg-O-Si-U; MgU2(SiO9)2; crystal structure

OSTI Identifier:: 1689500

DOI:: https://doi.org/10.17188/1689500

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                    Materials Data on MgU2(SiO9)2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1689500.

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                    Materials Data on MgU2(SiO9)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1689500

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                    2019.  
"Materials Data on MgU2(SiO9)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1689500.  https://www.osti.gov/servlets/purl/1689500. Pub date:Fri Jan 11 23:00:00 EST 2019

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@article{osti_1689500,

  title        = {Materials Data on MgU2(SiO9)2 by Materials Project},

  
  abstractNote = {MgU2(SiO9)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded in a square co-planar geometry to eight O atoms. There are a spread of Mg–O bond distances ranging from 2.03–2.73 Å. U is bonded to seven O atoms to form distorted UO7 pentagonal bipyramids that share corners with three equivalent SiO4 trigonal pyramids, edges with two equivalent UO7 pentagonal bipyramids, and an edgeedge with one SiO4 trigonal pyramid. There are a spread of U–O bond distances ranging from 1.79–2.56 Å. Si is bonded to four O atoms to form distorted SiO4 trigonal pyramids that share corners with three equivalent UO7 pentagonal bipyramids and an edgeedge with one UO7 pentagonal bipyramid. There are a spread of Si–O bond distances ranging from 1.58–2.08 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to one Si and two equivalent O atoms. Both O–O bond lengths are 1.34 Å. In the second O site, O is bonded in a bent 150 degrees geometry to one Mg and one U atom. In the third O site, O is bonded in a 1-coordinate geometry to two equivalent U and one Si atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one U and one Si atom. In the fifth O site, O is bonded in a single-bond geometry to one Mg atom. In the sixth O site, O is bonded in a single-bond geometry to one U atom. In the seventh O site, O is bonded in a bent 150 degrees geometry to one Mg and one O atom.},

  doi          = {10.17188/1689500},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jan 11 23:00:00 EST 2019},

  month        = {Fri Jan 11 23:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1689500

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