Materials Data on Mg3Al by Materials Project

doi:10.17188/1747262

Title: Materials Data on Mg3Al by Materials Project

Dataset
Other Related Research

Abstract

AlMg3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to eight equivalent Mg and four equivalent Al atoms to form MgMg8Al4 cuboctahedra that share corners with four equivalent AlMg12 cuboctahedra, corners with fourteen equivalent MgMg8Al4 cuboctahedra, edges with six equivalent AlMg12 cuboctahedra, edges with twelve equivalent MgMg8Al4 cuboctahedra, faces with four equivalent AlMg12 cuboctahedra, and faces with sixteen equivalent MgMg8Al4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.04–3.12 Å. There are two shorter (3.08 Å) and two longer (3.09 Å) Mg–Al bond lengths. Al is bonded to twelve equivalent Mg atoms to form AlMg12 cuboctahedra that share corners with six equivalent AlMg12 cuboctahedra, corners with twelve equivalent MgMg8Al4 cuboctahedra, edges with eighteen equivalent MgMg8Al4 cuboctahedra, faces with eight equivalent AlMg12 cuboctahedra, and faces with twelve equivalent MgMg8Al4 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1094970

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; Mg3Al; Al-Mg

OSTI Identifier:: 1747262

DOI:: https://doi.org/10.17188/1747262

Citation Formats


                    The Materials Project. Materials Data on Mg3Al by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1747262.

Copy to clipboard


                    The Materials Project. Materials Data on Mg3Al by Materials Project.  United States.  doi:https://doi.org/10.17188/1747262

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Mg3Al by Materials Project".  United States.  doi:https://doi.org/10.17188/1747262.  https://www.osti.gov/servlets/purl/1747262. Pub date:Sun May 03 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1747262,

  title        = {Materials Data on Mg3Al by Materials Project},

  author       = {The Materials Project},

  abstractNote = {AlMg3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to eight equivalent Mg and four equivalent Al atoms to form MgMg8Al4 cuboctahedra that share corners with four equivalent AlMg12 cuboctahedra, corners with fourteen equivalent MgMg8Al4 cuboctahedra, edges with six equivalent AlMg12 cuboctahedra, edges with twelve equivalent MgMg8Al4 cuboctahedra, faces with four equivalent AlMg12 cuboctahedra, and faces with sixteen equivalent MgMg8Al4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.04–3.12 Å. There are two shorter (3.08 Å) and two longer (3.09 Å) Mg–Al bond lengths. Al is bonded to twelve equivalent Mg atoms to form AlMg12 cuboctahedra that share corners with six equivalent AlMg12 cuboctahedra, corners with twelve equivalent MgMg8Al4 cuboctahedra, edges with eighteen equivalent MgMg8Al4 cuboctahedra, faces with eight equivalent AlMg12 cuboctahedra, and faces with twelve equivalent MgMg8Al4 cuboctahedra.},

  doi          = {10.17188/1747262},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1747262

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Mg3Al by Materials Project

Dataset The Materials Project

AlMg3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to eight equivalent Mg and four equivalent Al atoms to form MgMg8Al4 cuboctahedra that share corners with twelve equivalent MgMg8Al4 cuboctahedra, edges with eight equivalent AlMg12 cuboctahedra, edges with sixteen equivalent MgMg8Al4 cuboctahedra, faces with four equivalent AlMg12 cuboctahedra, and faces with fourteen equivalent MgMg8Al4 cuboctahedra. All Mg–Mg bond lengths are 3.09 Å. All Mg–Al bond lengths are 3.09 Å. Al is bonded to twelve equivalent Mg atoms to form AlMg12 cuboctahedra that share corners with twelve equivalent AlMg12 cuboctahedra,more »« less
Materials Data on Mg3Al(SiO4)3 by Materials Project

Dataset The Materials Project

Mg3Al(SiO4)3 crystallizes in the monoclinic Cc space group. The structure is two-dimensional and consists of two Mg3Al(SiO4)3 sheets oriented in the (0, 0, 1) direction. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to six O atoms to form MgO6 octahedra that share a cornercorner with one AlO4 tetrahedra, corners with three SiO4 tetrahedra, and edges with six MgO6 octahedra. There are a spread of Mg–O bond distances ranging from 2.07–2.14 Å. In the second Mg site, Mg is bonded to six O atoms to form MgO6 octahedra that share a cornercorner with onemore »« less
Materials Data on Mg3Al by Materials Project

Dataset The Materials Project

AlMg3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a body-centered cubic geometry to eight equivalent Mg atoms. All Mg–Mg bond lengths are 3.00 Å. In the second Mg site, Mg is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Al atoms. All Mg–Al bond lengths are 3.00 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.
Materials Data on Mg3Al by Materials Project

Dataset The Materials Project

AlMg3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to eight equivalent Mg and four equivalent Al atoms to form MgMg8Al4 cuboctahedra that share corners with four equivalent MgMg8Al4 cuboctahedra, corners with eight equivalent AlMg12 cuboctahedra, edges with twenty-four MgMg8Al4 cuboctahedra, faces with six equivalent AlMg12 cuboctahedra, and faces with twelve MgMg8Al4 cuboctahedra. All Mg–Mg bond lengths are 3.10 Å. All Mg–Al bond lengths are 3.10 Å. In the second Mg site, Mg is bonded to eight Mgmore »« less
Materials Data on LiMg9B20 by Materials Project

Dataset The Materials Project

LiMg9B20 is hexagonal omega structure-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li is bonded to twelve B atoms to form LiB12 cuboctahedra that share edges with twelve MgB12 cuboctahedra and faces with eight MgB12 cuboctahedra. There are a spread of Li–B bond distances ranging from 2.48–2.50 Å. There are five inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve B atoms to form MgB12 cuboctahedra that share edges with twelve MgB12 cuboctahedra, faces with two equivalent LiB12 cuboctahedra, and faces with six MgB12 cuboctahedra. There are a spread ofmore »« less

Similar Records