Materials Data on Cd(GaTe2)2 by Materials Project

doi:10.17188/1189836

Title: Materials Data on Cd(GaTe2)2 by Materials Project

Dataset
Other Related Research

Abstract

CdGa2Te4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Cd2+ is bonded to four equivalent Te2- atoms to form CdTe4 tetrahedra that share corners with eight GaTe4 tetrahedra. All Cd–Te bond lengths are 2.87 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four equivalent Te2- atoms to form GaTe4 tetrahedra that share corners with four equivalent CdTe4 tetrahedra and corners with four equivalent GaTe4 tetrahedra. All Ga–Te bond lengths are 2.68 Å. In the second Ga3+ site, Ga3+ is bonded to four equivalent Te2- atoms to form GaTe4 tetrahedra that share corners with four equivalent CdTe4 tetrahedra and corners with four equivalent GaTe4 tetrahedra. All Ga–Te bond lengths are 2.67 Å. Te2- is bonded in a trigonal non-coplanar geometry to one Cd2+ and two Ga3+ atoms.

Publication Date:: 2020-07-14

Other Number(s):: mp-13949

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; Cd(GaTe2)2; Cd-Ga-Te; crystal structure

OSTI Identifier:: 1189836

DOI:: https://doi.org/10.17188/1189836

Citation Formats


                    Materials Data on Cd(GaTe2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1189836.

Copy to clipboard


                    Materials Data on Cd(GaTe2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1189836

Copy to clipboard


                    2020.  
"Materials Data on Cd(GaTe2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1189836.  https://www.osti.gov/servlets/purl/1189836. Pub date:Tue Jul 14 20:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1189836,

  title        = {Materials Data on Cd(GaTe2)2 by Materials Project},

  
  abstractNote = {CdGa2Te4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Cd2+ is bonded to four equivalent Te2- atoms to form CdTe4 tetrahedra that share corners with eight GaTe4 tetrahedra. All Cd–Te bond lengths are 2.87 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four equivalent Te2- atoms to form GaTe4 tetrahedra that share corners with four equivalent CdTe4 tetrahedra and corners with four equivalent GaTe4 tetrahedra. All Ga–Te bond lengths are 2.68 Å. In the second Ga3+ site, Ga3+ is bonded to four equivalent Te2- atoms to form GaTe4 tetrahedra that share corners with four equivalent CdTe4 tetrahedra and corners with four equivalent GaTe4 tetrahedra. All Ga–Te bond lengths are 2.67 Å. Te2- is bonded in a trigonal non-coplanar geometry to one Cd2+ and two Ga3+ atoms.},

  doi          = {10.17188/1189836},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1189836

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Ba(GaTe2)2 by Materials Project

Dataset

Ba(GaTe2)2 crystallizes in the tetragonal I422 space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight equivalent Te2- atoms. All Ba–Te bond lengths are 3.64 Å. Ga3+ is bonded to four equivalent Te2- atoms to form edge-sharing GaTe4 tetrahedra. All Ga–Te bond lengths are 2.67 Å. Te2- is bonded in a 4-coordinate geometry to two equivalent Ba2+ and two equivalent Ga3+ atoms.
Materials Data on Zn(GaTe2)2 by Materials Project

Dataset

ZnGa2Te4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent Te2- atoms to form ZnTe4 tetrahedra that share corners with eight GaTe4 tetrahedra. All Zn–Te bond lengths are 2.69 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four equivalent Te2- atoms to form GaTe4 tetrahedra that share corners with four equivalent ZnTe4 tetrahedra and corners with four equivalent GaTe4 tetrahedra. All Ga–Te bond lengths are 2.67 Å. In the second Ga3+ site, Ga3+ is bonded to four equivalent Te2- atoms to form GaTe4 tetrahedramore »« less
Materials Data on Sr(GaTe2)2 by Materials Project

Dataset

Sr(GaTe2)2 crystallizes in the tetragonal I422 space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight equivalent Te2- atoms. All Sr–Te bond lengths are 3.53 Å. Ga3+ is bonded to four equivalent Te2- atoms to form edge-sharing GaTe4 tetrahedra. All Ga–Te bond lengths are 2.67 Å. Te2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two equivalent Ga3+ atoms.
Materials Data on Sr(GaTe2)2 by Materials Project

Dataset

Sr(GaTe2)2 crystallizes in the orthorhombic Cccm space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are four shorter (3.49 Å) and four longer (3.53 Å) Sr–Te bond lengths. Ga3+ is bonded to four Te2- atoms to form edge-sharing GaTe4 tetrahedra. There are a spread of Ga–Te bond distances ranging from 2.66–2.69 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two equivalent Ga3+ atoms. In the second Te2- site, Te2- is bonded to two equivalent Sr2+more »« less
Materials Data on Mn(GaTe2)2 by Materials Project

Dataset

MnGa2Te4 is beta indium sulfide-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mn2+ is bonded to six Te2- atoms to form MnTe6 octahedra that share corners with four equivalent MnTe6 octahedra, corners with five GaTe4 tetrahedra, edges with two equivalent MnTe6 octahedra, and edges with two equivalent GaTe4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. There are a spread of Mn–Te bond distances ranging from 2.88–2.96 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four Te2- atoms to form GaTe4 tetrahedra that share corners withmore »« less

Similar Records