Materials Data on MgU2(SiO8)2 by Materials Project

doi:10.17188/1753372

Title: Materials Data on MgU2(SiO8)2 by Materials Project

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Abstract

MgU2(SiO8)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded to six O atoms to form MgO6 octahedra that share corners with two equivalent SiO4 tetrahedra. There are two shorter (1.96 Å) and four longer (2.07 Å) Mg–O bond lengths. U is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of U–O bond distances ranging from 1.81–2.56 Å. Si is bonded to four O atoms to form SiO4 tetrahedra that share a cornercorner with one MgO6 octahedra. The corner-sharing octahedral tilt angles are 20°. There is two shorter (1.63 Å) and two longer (1.65 Å) Si–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one U and one Si atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Mg and one Si 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 single-bond geometry to one U atom. In the fifth O site, O is bondedmore »« less

Publication Date:: Sat May 02 04:00:00 UTC 2020

Other Number(s):: mp-1190722

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(SiO8)2; crystal structure

OSTI Identifier:: 1753372

DOI:: https://doi.org/10.17188/1753372

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                    Materials Data on MgU2(SiO8)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1753372.

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                    Materials Data on MgU2(SiO8)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1753372

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                    2020.  
"Materials Data on MgU2(SiO8)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1753372.  https://www.osti.gov/servlets/purl/1753372. Pub date:Sat May 02 04:00:00 UTC 2020

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@article{osti_1753372,

  title        = {Materials Data on MgU2(SiO8)2 by Materials Project},

  
  abstractNote = {MgU2(SiO8)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded to six O atoms to form MgO6 octahedra that share corners with two equivalent SiO4 tetrahedra. There are two shorter (1.96 Å) and four longer (2.07 Å) Mg–O bond lengths. U is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of U–O bond distances ranging from 1.81–2.56 Å. Si is bonded to four O atoms to form SiO4 tetrahedra that share a cornercorner with one MgO6 octahedra. The corner-sharing octahedral tilt angles are 20°. There is two shorter (1.63 Å) and two longer (1.65 Å) Si–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one U and one Si atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Mg and one Si 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 single-bond geometry to one U atom. In the fifth O site, O is bonded in a single-bond geometry to one U atom. In the sixth O site, O is bonded in a single-bond geometry to one Mg atom.},

  doi          = {10.17188/1753372},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 04:00:00 UTC 2020},

  month        = {Sat May 02 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1753372

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