Materials Data on MgGeO3 by Materials Project

doi:10.17188/1207382

Title: Materials Data on MgGeO3 by Materials Project

Dataset
Other Related Research

Abstract

MgGeO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent O2- atoms to form distorted MgO6 octahedra that share corners with nine equivalent GeO6 octahedra, edges with three equivalent MgO6 octahedra, and a faceface with one GeO6 octahedra. The corner-sharing octahedra tilt angles range from 42–61°. There are three shorter (2.04 Å) and three longer (2.21 Å) Mg–O bond lengths. Ge4+ is bonded to six equivalent O2- atoms to form GeO6 octahedra that share corners with nine equivalent MgO6 octahedra, edges with three equivalent GeO6 octahedra, and a faceface with one MgO6 octahedra. The corner-sharing octahedra tilt angles range from 42–61°. There is three shorter (1.89 Å) and three longer (1.98 Å) Ge–O bond length. O2- is bonded in a distorted see-saw-like geometry to two equivalent Mg2+ and two equivalent Ge4+ atoms.

Publication Date:: Wed Jul 15 04:00:00 UTC 2020

Other Number(s):: mp-3759

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; Ge-Mg-O; MgGeO3; crystal structure

OSTI Identifier:: 1207382

DOI:: https://doi.org/10.17188/1207382

Citation Formats


                    Materials Data on MgGeO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1207382.

Copy to clipboard


                    Materials Data on MgGeO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1207382

Copy to clipboard


                    2020.  
"Materials Data on MgGeO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1207382.  https://www.osti.gov/servlets/purl/1207382. Pub date:Wed Jul 15 04:00:00 UTC 2020

Copy to clipboard


                    
@article{osti_1207382,

  title        = {Materials Data on MgGeO3 by Materials Project},

  
  abstractNote = {MgGeO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent O2- atoms to form distorted MgO6 octahedra that share corners with nine equivalent GeO6 octahedra, edges with three equivalent MgO6 octahedra, and a faceface with one GeO6 octahedra. The corner-sharing octahedra tilt angles range from 42–61°. There are three shorter (2.04 Å) and three longer (2.21 Å) Mg–O bond lengths. Ge4+ is bonded to six equivalent O2- atoms to form GeO6 octahedra that share corners with nine equivalent MgO6 octahedra, edges with three equivalent GeO6 octahedra, and a faceface with one MgO6 octahedra. The corner-sharing octahedra tilt angles range from 42–61°. There is three shorter (1.89 Å) and three longer (1.98 Å) Ge–O bond length. O2- is bonded in a distorted see-saw-like geometry to two equivalent Mg2+ and two equivalent Ge4+ atoms.},

  doi          = {10.17188/1207382},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 04:00:00 UTC 2020},

  month        = {Wed Jul 15 04:00:00 UTC 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1207382

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on MgGeO3 by Materials Project

Dataset

MgGeO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg2+ is bonded to twelve equivalent O2- atoms to form MgO12 cuboctahedra that share corners with twelve equivalent MgO12 cuboctahedra, faces with six equivalent MgO12 cuboctahedra, and faces with eight equivalent GeO6 octahedra. All Mg–O bond lengths are 2.63 Å. Ge4+ is bonded to six equivalent O2- atoms to form GeO6 octahedra that share corners with six equivalent GeO6 octahedra and faces with eight equivalent MgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ge–O bond lengths are 1.86 Å. O2- ismore »« less
Materials Data on MgGeO3 by Materials Project

Dataset

MgGeO3 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six GeO4 tetrahedra and edges with five MgO6 octahedra. There are a spread of Mg–O bond distances ranging from 2.03–2.19 Å. In the second Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six GeO4 tetrahedra, edges with three equivalent MgO6 octahedra, and an edgeedge with one GeO4 tetrahedra. There are a spread ofmore »« less
Materials Data on MgGeO3 by Materials Project

Dataset

MgGeO3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent GeO4 tetrahedra and edges with five MgO6 octahedra. There are a spread of Mg–O bond distances ranging from 2.07–2.17 Å. In the second Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with eight equivalent GeO4 tetrahedra and edges with three equivalent MgO6 octahedra. There are a spread of Mg–O bond distances rangingmore »« less
Materials Data on MgGeO3 by Materials Project

Dataset

MgGeO3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Mg–O bond distances ranging from 2.05–2.40 Å. Ge4+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing GeO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There is two shorter (1.93 Å) and four longer (1.94 Å) Ge–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Mg2+ and two equivalent Ge4+ atoms.more »« less
Materials Data on Be by Materials Project

Dataset

Be is beta Np structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Be is bonded in a 11-coordinate geometry to eleven equivalent Be atoms. There are a spread of Be–Be bond distances ranging from 2.14–2.28 Å.

Similar Records