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Title: Materials Data on Mg3Tc by Materials Project

Abstract

Mg3Tc 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 Tc atoms. All Mg–Mg bond lengths are 2.95 Å. All Mg–Tc bond lengths are 2.89 Å. In the second Mg site, Mg is bonded to eight Mg and four equivalent Tc atoms to form distorted MgMg8Tc4 cuboctahedra that share corners with twelve equivalent MgMg8Tc4 cuboctahedra, edges with eight equivalent MgMg8Tc4 cuboctahedra, edges with eight equivalent TcMg12 cuboctahedra, faces with four equivalent TcMg12 cuboctahedra, and faces with ten equivalent MgMg8Tc4 cuboctahedra. All Mg–Mg bond lengths are 2.89 Å. All Mg–Tc bond lengths are 2.95 Å. Tc is bonded to twelve Mg atoms to form TcMg12 cuboctahedra that share corners with four equivalent TcMg12 cuboctahedra, edges with eight equivalent TcMg12 cuboctahedra, edges with sixteen equivalent MgMg8Tc4 cuboctahedra, faces with four equivalent TcMg12 cuboctahedra, and faces with eight equivalent MgMg8Tc4 cuboctahedra.

Publication Date:
Other Number(s):
mp-1185793
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Mg3Tc; Mg-Tc
OSTI Identifier:
1652525
DOI:
https://doi.org/10.17188/1652525

Citation Formats

The Materials Project. Materials Data on Mg3Tc by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1652525.
The Materials Project. Materials Data on Mg3Tc by Materials Project. United States. doi:https://doi.org/10.17188/1652525
The Materials Project. 2019. "Materials Data on Mg3Tc by Materials Project". United States. doi:https://doi.org/10.17188/1652525. https://www.osti.gov/servlets/purl/1652525. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1652525,
title = {Materials Data on Mg3Tc by Materials Project},
author = {The Materials Project},
abstractNote = {Mg3Tc 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 Tc atoms. All Mg–Mg bond lengths are 2.95 Å. All Mg–Tc bond lengths are 2.89 Å. In the second Mg site, Mg is bonded to eight Mg and four equivalent Tc atoms to form distorted MgMg8Tc4 cuboctahedra that share corners with twelve equivalent MgMg8Tc4 cuboctahedra, edges with eight equivalent MgMg8Tc4 cuboctahedra, edges with eight equivalent TcMg12 cuboctahedra, faces with four equivalent TcMg12 cuboctahedra, and faces with ten equivalent MgMg8Tc4 cuboctahedra. All Mg–Mg bond lengths are 2.89 Å. All Mg–Tc bond lengths are 2.95 Å. Tc is bonded to twelve Mg atoms to form TcMg12 cuboctahedra that share corners with four equivalent TcMg12 cuboctahedra, edges with eight equivalent TcMg12 cuboctahedra, edges with sixteen equivalent MgMg8Tc4 cuboctahedra, faces with four equivalent TcMg12 cuboctahedra, and faces with eight equivalent MgMg8Tc4 cuboctahedra.},
doi = {10.17188/1652525},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}