Materials Data on Mg2Zn by Materials Project

doi:10.17188/1757544

Title: Materials Data on Mg2Zn by Materials Project

Dataset
Other Related Research

Abstract

Mg2Zn crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six Mg and six equivalent Zn atoms to form distorted MgMg6Zn6 cuboctahedra that share corners with twelve MgMg8Zn4 cuboctahedra, edges with eleven equivalent MgMg8Zn4 cuboctahedra, and faces with fourteen MgMg6Zn6 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.98–3.12 Å. There are two shorter (3.01 Å) and four longer (3.03 Å) Mg–Zn bond lengths. In the second Mg site, Mg is bonded to eight Mg and four equivalent Zn atoms to form a mixture of distorted edge, face, and corner-sharing MgMg8Zn4 cuboctahedra. There are four shorter (3.00 Å) and two longer (3.12 Å) Mg–Mg bond lengths. There are two shorter (2.97 Å) and two longer (3.01 Å) Mg–Zn bond lengths. Zn is bonded in a 12-coordinate geometry to ten Mg atoms.

Authors:: The Materials Project

Publication Date:: 2020-09-03

Other Number(s):: mp-1094440

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; Mg2Zn; Mg-Zn

OSTI Identifier:: 1757544

DOI:: https://doi.org/10.17188/1757544

Citation Formats


                    The Materials Project. Materials Data on Mg2Zn by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1757544.

Copy to clipboard


                    The Materials Project. Materials Data on Mg2Zn by Materials Project.  United States.  doi:https://doi.org/10.17188/1757544

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Mg2Zn by Materials Project".  United States.  doi:https://doi.org/10.17188/1757544.  https://www.osti.gov/servlets/purl/1757544. Pub date:Thu Sep 03 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1757544,

  title        = {Materials Data on Mg2Zn by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg2Zn crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six Mg and six equivalent Zn atoms to form distorted MgMg6Zn6 cuboctahedra that share corners with twelve MgMg8Zn4 cuboctahedra, edges with eleven equivalent MgMg8Zn4 cuboctahedra, and faces with fourteen MgMg6Zn6 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.98–3.12 Å. There are two shorter (3.01 Å) and four longer (3.03 Å) Mg–Zn bond lengths. In the second Mg site, Mg is bonded to eight Mg and four equivalent Zn atoms to form a mixture of distorted edge, face, and corner-sharing MgMg8Zn4 cuboctahedra. There are four shorter (3.00 Å) and two longer (3.12 Å) Mg–Mg bond lengths. There are two shorter (2.97 Å) and two longer (3.01 Å) Mg–Zn bond lengths. Zn is bonded in a 12-coordinate geometry to ten Mg atoms.},

  doi          = {10.17188/1757544},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {9}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1757544

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Mg2Zn by Materials Project

Dataset The Materials Project

Mg2Zn crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form a mixture of edge, face, and corner-sharing MgMg12 cuboctahedra. There are six shorter (3.09 Å) and six longer (3.21 Å) Mg–Mg bond lengths. In the second Mg site, Mg is bonded to three equivalent Mg and three equivalent Zn atoms to form distorted MgMg3Zn3 cuboctahedra that share corners with eighteen MgMg12 cuboctahedra, edges with twelve MgMg12 cuboctahedra, and faces with two MgMg3Zn3 cuboctahedra. All Mg–Zn bond lengths aremore »« less
Materials Data on Mg2Zn by Materials Project

Dataset The Materials Project

Mg2Zn 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 to ten Mg and two equivalent Zn atoms to form distorted MgMg10Zn2 cuboctahedra that share corners with eighteen MgMg10Zn2 cuboctahedra, edges with eight equivalent ZnMg8Zn4 cuboctahedra, edges with ten MgMg6Zn6 cuboctahedra, faces with eight ZnMg8Zn4 cuboctahedra, and faces with twelve MgMg10Zn2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.02–3.14 Å. Both Mg–Zn bond lengths are 2.99 Å. In the second Mg site, Mg is bonded to eight Mg and fourmore »« less
Materials Data on Mg2Zn by Materials Project

Dataset The Materials Project

Mg2Zn crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to seven Mg and five equivalent Zn atoms to form a mixture of distorted face, edge, and corner-sharing MgMg7Zn5 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.96–3.13 Å. There are a spread of Mg–Zn bond distances ranging from 2.98–3.05 Å. In the second Mg site, Mg is bonded to seven Mg and five equivalent Zn atoms to form a mixture of distorted face, edge, and corner-sharing MgMg7Zn5 cuboctahedra. There aremore »« less
Materials Data on Mg2Zn by Materials Project

Dataset The Materials Project

Mg2Zn 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 eight Mg and four equivalent Zn atoms to form distorted MgMg8Zn4 cuboctahedra that share corners with eighteen equivalent MgMg8Zn4 cuboctahedra, edges with eight equivalent ZnMg9Zn3 cuboctahedra, edges with ten MgMg8Zn4 cuboctahedra, faces with eight equivalent ZnMg9Zn3 cuboctahedra, and faces with twelve MgMg8Zn4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 2.99–3.11 Å. All Mg–Zn bond lengths are 3.03 Å. In the second Mg site, Mg is bonded to six equivalentmore »« less
Materials Data on Mg2Zn by Materials Project

Dataset The Materials Project

Mg2Zn crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two Mg2Zn sheets oriented in the (0, 1, 0) direction. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to six equivalent Zn atoms. There are two shorter (2.85 Å) and four longer (2.98 Å) Mg–Zn bond lengths. In the second Mg site, Mg is bonded to two equivalent Zn atoms to form distorted corner-sharing MgZn2 cuboctahedra. Both Mg–Zn bond lengths are 2.96 Å. Zn is bonded in a 12-coordinate geometry to eight Mg atoms.

Similar Records