Materials Data on Mg3Sn by Materials Project

doi:10.17188/1315906

Title: Materials Data on Mg3Sn by Materials Project

Dataset
Other Related Research

Abstract

Mg3Sn 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 Sn atoms to form distorted MgMg8Sn4 cuboctahedra that share corners with twelve equivalent MgMg8Sn4 cuboctahedra, edges with eight equivalent SnMg12 cuboctahedra, edges with sixteen equivalent MgMg8Sn4 cuboctahedra, faces with four equivalent SnMg12 cuboctahedra, and faces with fourteen equivalent MgMg8Sn4 cuboctahedra. All Mg–Mg bond lengths are 3.18 Å. All Mg–Sn bond lengths are 3.18 Å. Sn is bonded to twelve equivalent Mg atoms to form SnMg12 cuboctahedra that share corners with twelve equivalent SnMg12 cuboctahedra, edges with twenty-four equivalent MgMg8Sn4 cuboctahedra, faces with six equivalent SnMg12 cuboctahedra, and faces with twelve equivalent MgMg8Sn4 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-978294

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; Mg3Sn; Mg-Sn

OSTI Identifier:: 1315906

DOI:: https://doi.org/10.17188/1315906

Citation Formats


                    The Materials Project. Materials Data on Mg3Sn by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1315906.

Copy to clipboard


                    The Materials Project. Materials Data on Mg3Sn by Materials Project.  United States.  doi:https://doi.org/10.17188/1315906

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Mg3Sn by Materials Project".  United States.  doi:https://doi.org/10.17188/1315906.  https://www.osti.gov/servlets/purl/1315906. Pub date:Sat May 02 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1315906,

  title        = {Materials Data on Mg3Sn by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg3Sn 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 Sn atoms to form distorted MgMg8Sn4 cuboctahedra that share corners with twelve equivalent MgMg8Sn4 cuboctahedra, edges with eight equivalent SnMg12 cuboctahedra, edges with sixteen equivalent MgMg8Sn4 cuboctahedra, faces with four equivalent SnMg12 cuboctahedra, and faces with fourteen equivalent MgMg8Sn4 cuboctahedra. All Mg–Mg bond lengths are 3.18 Å. All Mg–Sn bond lengths are 3.18 Å. Sn is bonded to twelve equivalent Mg atoms to form SnMg12 cuboctahedra that share corners with twelve equivalent SnMg12 cuboctahedra, edges with twenty-four equivalent MgMg8Sn4 cuboctahedra, faces with six equivalent SnMg12 cuboctahedra, and faces with twelve equivalent MgMg8Sn4 cuboctahedra.},

  doi          = {10.17188/1315906},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1315906

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Mg3Sn by Materials Project

Dataset The Materials Project

Mg3Sn is Uranium Silicide-like structured and crystallizes in the trigonal P-3 space group. The structure is three-dimensional. Mg is bonded to eight equivalent Mg and four equivalent Sn atoms to form distorted MgMg8Sn4 cuboctahedra that share corners with four equivalent SnMg12 cuboctahedra, corners with fourteen equivalent MgMg8Sn4 cuboctahedra, edges with six equivalent SnMg12 cuboctahedra, edges with twelve equivalent MgMg8Sn4 cuboctahedra, faces with four equivalent SnMg12 cuboctahedra, and faces with sixteen equivalent MgMg8Sn4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.15–3.21 Å. There are a spread of Mg–Sn bond distances ranging from 3.12–3.23 Å. Sn is bondedmore »« less
Materials Data on Mg3Sn by Materials Project

Dataset The Materials Project

Mg3Sn crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with twelve equivalent SnMg6 cuboctahedra, corners with eighteen MgMg12 cuboctahedra, edges with eighteen MgMg12 cuboctahedra, faces with two equivalent SnMg6 cuboctahedra, and faces with six equivalent MgMg12 cuboctahedra. There are six shorter (3.14 Å) and six longer (3.33 Å) Mg–Mg bond lengths. In the second Mg site, Mg is bonded to three equivalent Mg and three equivalent Sn atoms to form distorted MgMg3Sn3more »« less
Materials Data on Mg3Sn by Materials Project

Dataset The Materials Project

Mg3Sn 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 3.12 Å. In the second Mg site, Mg is bonded to four equivalent Mg and four equivalent Sn atoms to form a mixture of distorted edge, face, and corner-sharing MgMg4Sn4 tetrahedra. All Mg–Sn bond lengths are 3.12 Å. Sn is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.
Materials Data on Mg3Sn by Materials Project

Dataset The Materials Project

Mg3Sn is Uranium Silicide-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 in a distorted square co-planar geometry to eight equivalent Mg and four equivalent Sn atoms. All Mg–Mg bond lengths are 3.22 Å. All Mg–Sn bond lengths are 3.12 Å. In the second Mg site, Mg is bonded to eight Mg and four equivalent Sn atoms to form distorted MgMg8Sn4 cuboctahedra that share corners with twelve equivalent MgMg8Sn4 cuboctahedra, edges with eight equivalent MgMg8Sn4 cuboctahedra, edges with eight equivalent SnMg12more »« less
Materials Data on Mg3Sn by Materials Project

Dataset The Materials Project

Mg3Sn crystallizes in the orthorhombic Imm2 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 four equivalent Sn atoms. There are two shorter (3.16 Å) and two longer (3.19 Å) Mg–Sn bond lengths. In the second Mg site, Mg is bonded in a 12-coordinate geometry to three equivalent Sn atoms. There are one shorter (3.13 Å) and two longer (3.21 Å) Mg–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to ten Mg atoms.

Similar Records