Materials Data on Ca3Ga2(GeO4)3 by Materials Project

doi:10.17188/1350882

Title: Materials Data on Ca3Ga2(GeO4)3 by Materials Project

Dataset
Other Related Research

Abstract

Ca3Ga2Ge3O12 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Ca2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.40 Å) and four longer (2.52 Å) Ca–O bond lengths. Ga3+ is bonded to six equivalent O2- atoms to form GaO6 octahedra that share corners with six equivalent GeO4 tetrahedra. All Ga–O bond lengths are 2.02 Å. Ge4+ is bonded to four equivalent O2- atoms to form GeO4 tetrahedra that share corners with four equivalent GaO6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Ge–O bond lengths are 1.79 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Ca2+, one Ga3+, and one Ge4+ atom.

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-1019565

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; Ca-Ga-Ge-O; Ca3Ga2(GeO4)3; crystal structure

OSTI Identifier:: 1350882

DOI:: https://doi.org/10.17188/1350882

Citation Formats


                    Materials Data on Ca3Ga2(GeO4)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1350882.

Copy to clipboard


                    Materials Data on Ca3Ga2(GeO4)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1350882

Copy to clipboard


                    2020.  
"Materials Data on Ca3Ga2(GeO4)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1350882.  https://www.osti.gov/servlets/purl/1350882. Pub date:Wed Apr 29 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1350882,

  title        = {Materials Data on Ca3Ga2(GeO4)3 by Materials Project},

  
  abstractNote = {Ca3Ga2Ge3O12 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Ca2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.40 Å) and four longer (2.52 Å) Ca–O bond lengths. Ga3+ is bonded to six equivalent O2- atoms to form GaO6 octahedra that share corners with six equivalent GeO4 tetrahedra. All Ga–O bond lengths are 2.02 Å. Ge4+ is bonded to four equivalent O2- atoms to form GeO4 tetrahedra that share corners with four equivalent GaO6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Ge–O bond lengths are 1.79 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Ca2+, one Ga3+, and one Ge4+ atom.},

  doi          = {10.17188/1350882},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1350882

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Ca3Ga2(SiO4)3 by Materials Project

Dataset

Ca3Ga2Si3O12 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Ca2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.37 Å) and four longer (2.52 Å) Ca–O bond lengths. Ga3+ is bonded to six equivalent O2- atoms to form GaO6 octahedra that share corners with six equivalent SiO4 tetrahedra. All Ga–O bond lengths are 2.02 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent GaO6 octahedra. The corner-sharing octahedral tilt angles are 46°. All Si–O bond lengths are 1.66more »« less
Materials Data on Ca3Ga2(SnO4)3 by Materials Project

Dataset

Ca3Sn3Ga2O12 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Ca2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.45 Å) and four longer (2.61 Å) Ca–O bond lengths. Ga3+ is bonded to six equivalent O2- atoms to form GaO6 octahedra that share corners with six equivalent SnO4 tetrahedra. All Ga–O bond lengths are 2.03 Å. Sn4+ is bonded to four equivalent O2- atoms to form SnO4 tetrahedra that share corners with four equivalent GaO6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Sn–O bond lengths are 1.98more »« less
Materials Data on Ca3Ga2(SnO4)3 by Materials Project

Dataset

Ca3Sn3Ga2O12 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.41 Å) and four longer (2.63 Å) Ca–O bond lengths. In the second Ca2+ site, Ca2+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.45–2.62 Å. Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with four equivalent SnO6 octahedra. Themore »« less
Materials Data on Na3Ti2(GeO4)3 by Materials Project

Dataset

Na3Ti2(GeO4)3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Na is bonded in a distorted body-centered cubic geometry to eight equivalent O atoms. There are four shorter (2.43 Å) and four longer (2.59 Å) Na–O bond lengths. Ti is bonded to six equivalent O atoms to form TiO6 octahedra that share corners with six equivalent GeO4 tetrahedra. All Ti–O bond lengths are 1.97 Å. Ge is bonded to four equivalent O atoms to form GeO4 tetrahedra that share corners with four equivalent TiO6 octahedra. The corner-sharing octahedral tilt angles are 45°. All Ge–O bond lengths are 1.78more »« less
Materials Data on Na3V2(GeO4)3 by Materials Project

Dataset

Na3V2(GeO4)3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Na1+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.41 Å) and four longer (2.57 Å) Na–O bond lengths. V+4.50+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with six equivalent GeO4 tetrahedra. All V–O bond lengths are 1.93 Å. Ge4+ is bonded to four equivalent O2- atoms to form GeO4 tetrahedra that share corners with four equivalent VO6 octahedra. The corner-sharing octahedral tilt angles are 44°. All Ge–O bond lengths are 1.78more »« less

Similar Records