Materials Data on Mn2Zn3(SiO4)3 by Materials Project

doi:10.17188/1320759

Title: Materials Data on Mn2Zn3(SiO4)3 by Materials Project

Dataset
Other Related Research

Abstract

Mn2Zn3(SiO4)3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Mn3+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent SiO4 tetrahedra. All Mn–O bond lengths are 2.02 Å. Zn2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.27 Å) and four longer (2.40 Å) Zn–O bond lengths. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 52°. All Si–O bond lengths are 1.66 Å. O2- is bonded in a 4-coordinate geometry to one Mn3+, two equivalent Zn2+, and one Si4+ atom.

Authors:: The Materials Project

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

Other Number(s):: mvc-3903

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; Mn2Zn3(SiO4)3; Mn-O-Si-Zn

OSTI Identifier:: 1320759

DOI:: https://doi.org/10.17188/1320759

Citation Formats


                    The Materials Project. Materials Data on Mn2Zn3(SiO4)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1320759.

Copy to clipboard


                    The Materials Project. Materials Data on Mn2Zn3(SiO4)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1320759

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Mn2Zn3(SiO4)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1320759.  https://www.osti.gov/servlets/purl/1320759. Pub date:Thu Apr 30 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1320759,

  title        = {Materials Data on Mn2Zn3(SiO4)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mn2Zn3(SiO4)3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Mn3+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent SiO4 tetrahedra. All Mn–O bond lengths are 2.02 Å. Zn2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.27 Å) and four longer (2.40 Å) Zn–O bond lengths. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 52°. All Si–O bond lengths are 1.66 Å. O2- is bonded in a 4-coordinate geometry to one Mn3+, two equivalent Zn2+, and one Si4+ atom.},

  doi          = {10.17188/1320759},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

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

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

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1320759

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Mn2Zn3(SiO4)3 by Materials Project

Dataset The Materials Project

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 Mn2Zn3(GeO4)3 by Materials Project

Dataset The Materials Project

Mn2Zn3(GeO4)3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Mn3+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent GeO4 tetrahedra. All Mn–O bond lengths are 2.03 Å. Zn2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.27 Å) and four longer (2.43 Å) Zn–O bond lengths. Ge4+ is bonded to four equivalent O2- atoms to form GeO4 tetrahedra that share corners with four equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 54°. All Ge–O bond lengths are 1.78more »« less
Materials Data on Mn2Zn3(Si2O7)2 (SG:15) by Materials Project

Dataset The Materials Project

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 Mn2Zn3(Si2O7)2 by Materials Project

Dataset The Materials Project

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 Ca3Mn2(SiO4)3 (SG:230) by Materials Project

Dataset The Materials Project

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