Materials Data on Mg2Ga by Materials Project

doi:10.17188/1665310

Title: Materials Data on Mg2Ga by Materials Project

Dataset
Other Related Research

Abstract

Mg2Ga crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to two equivalent Mg and four equivalent Ga atoms to form a mixture of distorted edge, face, and corner-sharing MgMg2Ga4 cuboctahedra. Both Mg–Mg bond lengths are 3.06 Å. All Mg–Ga bond lengths are 3.02 Å. In the second Mg site, Mg is bonded to six equivalent Mg and six equivalent Ga atoms to form MgMg6Ga6 cuboctahedra that share corners with twelve equivalent MgMg2Ga4 cuboctahedra, edges with eighteen MgMg2Ga4 cuboctahedra, and faces with two equivalent MgMg6Ga6 cuboctahedra. All Mg–Ga bond lengths are 3.14 Å. Ga is bonded in a 12-coordinate geometry to nine Mg atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1094656

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; Mg2Ga; Ga-Mg

OSTI Identifier:: 1665310

DOI:: https://doi.org/10.17188/1665310

Citation Formats


                    The Materials Project. Materials Data on Mg2Ga by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1665310.

Copy to clipboard


                    The Materials Project. Materials Data on Mg2Ga by Materials Project.  United States.  doi:https://doi.org/10.17188/1665310

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Mg2Ga by Materials Project".  United States.  doi:https://doi.org/10.17188/1665310.  https://www.osti.gov/servlets/purl/1665310. Pub date:Sun May 03 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1665310,

  title        = {Materials Data on Mg2Ga by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg2Ga crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to two equivalent Mg and four equivalent Ga atoms to form a mixture of distorted edge, face, and corner-sharing MgMg2Ga4 cuboctahedra. Both Mg–Mg bond lengths are 3.06 Å. All Mg–Ga bond lengths are 3.02 Å. In the second Mg site, Mg is bonded to six equivalent Mg and six equivalent Ga atoms to form MgMg6Ga6 cuboctahedra that share corners with twelve equivalent MgMg2Ga4 cuboctahedra, edges with eighteen MgMg2Ga4 cuboctahedra, and faces with two equivalent MgMg6Ga6 cuboctahedra. All Mg–Ga bond lengths are 3.14 Å. Ga is bonded in a 12-coordinate geometry to nine Mg atoms.},

  doi          = {10.17188/1665310},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1665310

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Mg2Ga by Materials Project

Dataset The Materials Project

Mg2Ga crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to four Ga atoms to form a mixture of distorted edge and corner-sharing MgGa4 tetrahedra. There are two shorter (2.78 Å) and two longer (2.84 Å) Mg–Ga bond lengths. In the second Mg site, Mg is bonded in a 5-coordinate geometry to five Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.97–3.03 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinatemore »« less
Materials Data on Mg2Ga by Materials Project

Dataset The Materials Project

Mg2Ga crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to eight Mg and four equivalent Ga atoms to form a mixture of distorted face, edge, and corner-sharing MgMg8Ga4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.03–3.15 Å. There are two shorter (3.00 Å) and two longer (3.05 Å) Mg–Ga bond lengths. In the second Mg site, Mg is bonded to six equivalent Mg and six equivalent Ga atoms to form MgMg6Ga6 cuboctahedra that share corners with six equivalent MgMg6Ga6more »« less
Materials Data on Mg2Ga by Materials Project

Dataset The Materials Project

Mg2Ga crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to nine Mg and three equivalent Ga atoms. There are a spread of Mg–Mg bond distances ranging from 3.06–3.22 Å. There are two shorter (2.92 Å) and one longer (3.22 Å) Mg–Ga bond lengths. In the second Mg site, Mg is bonded in a 12-coordinate geometry to four equivalent Mg and five equivalent Ga atoms. There are a spread of Mg–Ga bond distances ranging from 2.95–3.06 Å. Ga is bondedmore »« less
Materials Data on Mg2Ga by Materials Project

Dataset The Materials Project

Mg2Ga crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Mg2Ga sheet oriented in the (0, 0, 1) direction. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form a mixture of corner, edge, and face-sharing MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.09–3.20 Å. In the second Mg site, Mg is bonded to nine Mg and three equivalent Ga atoms to form a mixture of distorted corner, edge, and face-sharing MgMg9Ga3 cuboctahedra. All Mg–Mg bond lengths are 3.12more »« less
Materials Data on Mg2Ga by Materials Project

Dataset The Materials Project

Mg2Ga crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted water-like geometry to four equivalent Mg and two equivalent Ga atoms. All Mg–Mg bond lengths are 3.03 Å. Both Mg–Ga bond lengths are 2.96 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Mg and four equivalent Ga atoms. Both Mg–Mg bond lengths are 3.02 Å. All Mg–Ga bond lengths are 3.01 Å. In the third Mg site, Mg is bonded in a 12-coordinatemore »« less

Similar Records