Materials Data on MgZn by Materials Project

doi:10.17188/1693086

Title: Materials Data on MgZn by Materials Project

Dataset
Other Related Research

Abstract

MgZn crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one MgZn sheet oriented in the (0, 0, 1) direction. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to six Zn atoms. There are three shorter (2.83 Å) and three longer (2.85 Å) Mg–Zn bond lengths. In the second Mg site, Mg is bonded to three equivalent Zn atoms to form distorted corner-sharing MgZn3 cuboctahedra. All Mg–Zn bond lengths are 2.85 Å. In the third Mg site, Mg is bonded to three equivalent Zn atoms to form distorted corner-sharing MgZn3 cuboctahedra. All Mg–Zn bond lengths are 2.85 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to six Mg atoms. In the second Zn site, Zn is bonded in a 6-coordinate geometry to three equivalent Mg and three equivalent Zn atoms. All Zn–Zn bond lengths are 2.64 Å. In the third Zn site, Zn is bonded in a 6-coordinate geometry to three equivalent Mg and three equivalent Zn atoms.

Publication Date:: Sun May 03 04:00:00 UTC 2020

Other Number(s):: mp-1094429

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; Mg-Zn; MgZn; crystal structure

OSTI Identifier:: 1693086

DOI:: https://doi.org/10.17188/1693086

Citation Formats


                    Materials Data on MgZn by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1693086.

Copy to clipboard


                    Materials Data on MgZn by Materials Project.  United States.  doi:https://doi.org/10.17188/1693086

Copy to clipboard


                    2020.  
"Materials Data on MgZn by Materials Project".  United States.  doi:https://doi.org/10.17188/1693086.  https://www.osti.gov/servlets/purl/1693086. Pub date:Sun May 03 04:00:00 UTC 2020

Copy to clipboard


                    
@article{osti_1693086,

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

  
  abstractNote = {MgZn crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one MgZn sheet oriented in the (0, 0, 1) direction. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to six Zn atoms. There are three shorter (2.83 Å) and three longer (2.85 Å) Mg–Zn bond lengths. In the second Mg site, Mg is bonded to three equivalent Zn atoms to form distorted corner-sharing MgZn3 cuboctahedra. All Mg–Zn bond lengths are 2.85 Å. In the third Mg site, Mg is bonded to three equivalent Zn atoms to form distorted corner-sharing MgZn3 cuboctahedra. All Mg–Zn bond lengths are 2.85 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to six Mg atoms. In the second Zn site, Zn is bonded in a 6-coordinate geometry to three equivalent Mg and three equivalent Zn atoms. All Zn–Zn bond lengths are 2.64 Å. In the third Zn site, Zn is bonded in a 6-coordinate geometry to three equivalent Mg and three equivalent Zn atoms.},

  doi          = {10.17188/1693086},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 04:00:00 UTC 2020},

  month        = {Sun May 03 04:00:00 UTC 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1693086

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on MgZn by Materials Project

Dataset

MgZn is beta-prime cadmium gold structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to eight equivalent Zn atoms. There are a spread of Mg–Zn bond distances ranging from 2.87–3.00 Å. Zn is bonded in a 8-coordinate geometry to eight equivalent Mg atoms.
Materials Data on MgZn by Materials Project

Dataset

MgZn crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are six inequivalent Mg sites. In the first Mg site, Mg is bonded in a 9-coordinate geometry to seven Mg and nine Zn atoms. There are a spread of Mg–Mg bond distances ranging from 3.15–3.30 Å. There are a spread of Mg–Zn bond distances ranging from 3.14–3.16 Å. In the second Mg site, Mg is bonded in a 9-coordinate geometry to seven Mg and nine Zn atoms. There are a spread of Mg–Mg bond distances ranging from 3.15–3.30 Å. There are three shorter (3.14 Å) and sixmore »« less
Materials Data on MgZn by Materials Project

Dataset

MgZn crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to seven equivalent Zn atoms. There are a spread of Mg–Zn bond distances ranging from 2.88–2.97 Å. Zn is bonded in a 9-coordinate geometry to seven equivalent Mg and two equivalent Zn atoms. Both Zn–Zn bond lengths are 2.73 Å.
Materials Data on MgZn by Materials Project

Dataset

MgZn crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Mg is bonded to six equivalent Mg and six equivalent Zn atoms to form distorted MgMg6Zn6 cuboctahedra that share corners with ten equivalent MgMg6Zn6 cuboctahedra, corners with fourteen equivalent ZnMg6 cuboctahedra, edges with eight equivalent ZnMg6 cuboctahedra, edges with ten equivalent MgMg6Zn6 cuboctahedra, faces with two equivalent ZnMg6 cuboctahedra, and faces with eight equivalent MgMg6Zn6 cuboctahedra. There are two shorter (3.03 Å) and four longer (3.06 Å) Mg–Mg bond lengths. There are a spread of Mg–Zn bond distances ranging from 2.89–2.94 Å. Zn is bonded to six equivalentmore »« less
Materials Data on MgZn by Materials Project

Dataset

MgZn crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to four Mg and eight Zn atoms to form distorted MgMg4Zn8 cuboctahedra that share corners with six equivalent MgMg4Zn8 cuboctahedra, corners with twelve ZnMg8Zn4 cuboctahedra, edges with six ZnMg8Zn4 cuboctahedra, edges with eight equivalent MgMg2Zn8 cuboctahedra, faces with four ZnMg8Zn4 cuboctahedra, and faces with twelve MgMg4Zn8 cuboctahedra. There are two shorter (2.97 Å) and two longer (3.04 Å) Mg–Mg bond lengths. There are a spread of Mg–Zn bond distances ranging from 2.88–3.10 Å. Inmore »« less

Similar Records