Materials Data on Ga2Cu by Materials Project

doi:10.17188/1187760

Title: Materials Data on Ga2Cu by Materials Project

Dataset
Other Related Research

Abstract

CuGa2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Cu is bonded in a distorted body-centered cubic geometry to eight equivalent Ga atoms. All Cu–Ga bond lengths are 2.62 Å. Ga is bonded in a 9-coordinate geometry to four equivalent Cu and five equivalent Ga atoms. There are one shorter (2.54 Å) and four longer (2.84 Å) Ga–Ga bond lengths.

Publication Date:: 2020-07-14

Other Number(s):: mp-11359

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; Cu-Ga; Ga2Cu; crystal structure

OSTI Identifier:: 1187760

DOI:: https://doi.org/10.17188/1187760

Citation Formats


                    Materials Data on Ga2Cu by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187760.

Copy to clipboard


                    Materials Data on Ga2Cu by Materials Project.  United States.  doi:https://doi.org/10.17188/1187760

Copy to clipboard


                    2020.  
"Materials Data on Ga2Cu by Materials Project".  United States.  doi:https://doi.org/10.17188/1187760.  https://www.osti.gov/servlets/purl/1187760. Pub date:Tue Jul 14 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1187760,

  title        = {Materials Data on Ga2Cu by Materials Project},

  
  abstractNote = {CuGa2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Cu is bonded in a distorted body-centered cubic geometry to eight equivalent Ga atoms. All Cu–Ga bond lengths are 2.62 Å. Ga is bonded in a 9-coordinate geometry to four equivalent Cu and five equivalent Ga atoms. There are one shorter (2.54 Å) and four longer (2.84 Å) Ga–Ga bond lengths.},

  doi          = {10.17188/1187760},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1187760

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Hf3(Ga2Cu)2 by Materials Project

Dataset

Hf3(CuGa2)2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are six inequivalent Hf sites. In the first Hf site, Hf is bonded in a 12-coordinate geometry to five Cu and seven Ga atoms. There are a spread of Hf–Cu bond distances ranging from 2.86–3.15 Å. There are a spread of Hf–Ga bond distances ranging from 2.86–3.09 Å. In the second Hf site, Hf is bonded in a 12-coordinate geometry to four Cu and eight Ga atoms. There are a spread of Hf–Cu bond distances ranging from 2.91–3.10 Å. There are a spread of Hf–Ga bond distancesmore »« less
Materials Data on Ga2Cu(SeO3)4 by Materials Project

Dataset

CuGa2(SeO3)4 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two CuGa2(SeO3)4 sheets oriented in the (0, 0, 1) direction. Cu2+ is bonded to six O2- atoms to form distorted CuO6 octahedra that share corners with four equivalent GaO6 octahedra. The corner-sharing octahedra tilt angles range from 43–49°. There are a spread of Cu–O bond distances ranging from 2.00–2.48 Å. Ga3+ is bonded to six O2- atoms to form GaO6 octahedra that share corners with two equivalent CuO6 octahedra and corners with two equivalent GaO6 octahedra. The corner-sharing octahedra tilt angles range from 43–49°. Theremore »« less
Materials Data on Ho3(Ga2Cu)2 by Materials Project

Dataset

Ho3(CuGa2)2 crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are six inequivalent Ho sites. In the first Ho site, Ho is bonded in a 12-coordinate geometry to three equivalent Cu and nine Ga atoms. All Ho–Cu bond lengths are 2.91 Å. There are a spread of Ho–Ga bond distances ranging from 3.00–3.35 Å. In the second Ho site, Ho is bonded in a 12-coordinate geometry to three equivalent Cu and nine Ga atoms. All Ho–Cu bond lengths are 2.91 Å. There are a spread of Ho–Ga bond distances ranging from 3.00–3.35 Å. In the third Homore »« less
Materials Data on Ga2Cu(SO)2 by Materials Project

Dataset

CuGa2(SO)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cu2+ is bonded to two equivalent S2- and four equivalent O2- atoms to form CuS2O4 octahedra that share corners with four equivalent CuS2O4 octahedra and corners with eight equivalent GaS4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. Both Cu–S bond lengths are 2.46 Å. All Cu–O bond lengths are 2.03 Å. Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedra that share corners with four equivalent CuS2O4 octahedra, corners with four equivalent GaS4 tetrahedra, and edges with four equivalent GaS4 tetrahedra. The corner-sharing octahedralmore »« less
Materials Data on U3(Ga2Cu)4 by Materials Project

Dataset

U3(CuGa2)4 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 12-coordinate geometry to six Cu and ten Ga atoms. There are four shorter (3.28 Å) and two longer (3.40 Å) U–Cu bond lengths. There are a spread of U–Ga bond distances ranging from 3.14–3.38 Å. In the second U site, U is bonded in a 8-coordinate geometry to four equivalent Cu and twelve Ga atoms. All U–Cu bond lengths are 3.33 Å. There are eight shorter (3.14 Å) and four longer (3.35more »« less

Similar Records