Materials Data on Mg3Si3(MoO6)2 by Materials Project

doi:10.17188/1320755

Title: Materials Data on Mg3Si3(MoO6)2 by Materials Project

Dataset
Other Related Research

Abstract

Mg3Si3(MoO6)2 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Mg2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.31 Å) and four longer (2.40 Å) Mg–O bond lengths. Mo3+ is bonded to six equivalent O2- atoms to form MoO6 octahedra that share corners with six equivalent SiO4 tetrahedra. All Mo–O bond lengths are 2.13 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent MoO6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Si–O bond lengths are 1.66 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Mg2+, one Mo3+, and one Si4+ atom.

Publication Date:: Thu Apr 30 04:00:00 UTC 2020

Other Number(s):: mvc-3885

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-Mo-O-Si; Mg3Si3(MoO6)2; crystal structure

OSTI Identifier:: 1320755

DOI:: https://doi.org/10.17188/1320755

Citation Formats


                    Materials Data on Mg3Si3(MoO6)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1320755.

Copy to clipboard


                    Materials Data on Mg3Si3(MoO6)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1320755

Copy to clipboard


                    2020.  
"Materials Data on Mg3Si3(MoO6)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1320755.  https://www.osti.gov/servlets/purl/1320755. Pub date:Thu Apr 30 04:00:00 UTC 2020

Copy to clipboard


                    
@article{osti_1320755,

  title        = {Materials Data on Mg3Si3(MoO6)2 by Materials Project},

  
  abstractNote = {Mg3Si3(MoO6)2 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Mg2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.31 Å) and four longer (2.40 Å) Mg–O bond lengths. Mo3+ is bonded to six equivalent O2- atoms to form MoO6 octahedra that share corners with six equivalent SiO4 tetrahedra. All Mo–O bond lengths are 2.13 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent MoO6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Si–O bond lengths are 1.66 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Mg2+, one Mo3+, and one Si4+ atom.},

  doi          = {10.17188/1320755},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 04:00:00 UTC 2020},

  month        = {Thu Apr 30 04:00:00 UTC 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1320755

Save / Share:

Export Metadata

Save to My Library

Similar records in DOE Data Explorer and OSTI.GOV collections:

Materials Data on Mg3Si3(SnO6)2 by Materials Project

Dataset

Mg3Si3(SnO6)2 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Mg2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.34 Å) and four longer (2.41 Å) Mg–O bond lengths. Sn3+ is bonded to six equivalent O2- atoms to form SnO6 octahedra that share corners with six equivalent SiO4 tetrahedra. All Sn–O bond lengths are 2.21 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent SnO6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Si–O bond lengths are 1.67more »« less
Materials Data on Mg3Si3(BiO6)2 by Materials Project

Dataset

Mg3Si3(BiO6)2 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Mg2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.40 Å) and four longer (2.44 Å) Mg–O bond lengths. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent BiO6 octahedra. The corner-sharing octahedral tilt angles are 59°. All Si–O bond lengths are 1.67 Å. Bi3+ is bonded to six equivalent O2- atoms to form BiO6 octahedra that share corners with six equivalent SiO4 tetrahedra. All Bi–O bond lengths are 2.32more »« less
Materials Data on Mg3Si3(WO6)2 by Materials Project

Dataset

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Mg3Si3(NiO6)2 by Materials Project

Dataset

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Mg3Si3(AgO6)2 by Materials Project

Dataset

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Similar Records