U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MgAg3 by Materials Project
Abstract
Ag3Mg is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mg is bonded to twelve Ag atoms to form MgAg12 cuboctahedra that share corners with four equivalent MgAg12 cuboctahedra, edges with eight equivalent MgAg12 cuboctahedra, edges with sixteen equivalent AgMg4Ag8 cuboctahedra, faces with four equivalent MgAg12 cuboctahedra, and faces with eight equivalent AgMg4Ag8 cuboctahedra. There are four shorter (2.90 Å) and eight longer (2.97 Å) Mg–Ag bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a distorted square co-planar geometry to four equivalent Mg and eight equivalent Ag atoms. All Ag–Ag bond lengths are 2.97 Å. In the second Ag site, Ag is bonded to four equivalent Mg and eight Ag atoms to form distorted AgMg4Ag8 cuboctahedra that share corners with twelve equivalent AgMg4Ag8 cuboctahedra, edges with eight equivalent MgAg12 cuboctahedra, edges with eight equivalent AgMg4Ag8 cuboctahedra, faces with four equivalent MgAg12 cuboctahedra, and faces with ten equivalent AgMg4Ag8 cuboctahedra. All Ag–Ag bond lengths are 2.90 Å.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1185836
- 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; MgAg3; Ag-Mg
- OSTI Identifier:
- 1652863
- DOI:
- https://doi.org/10.17188/1652863
Citation Formats
The Materials Project. Materials Data on MgAg3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1652863.
The Materials Project. Materials Data on MgAg3 by Materials Project. United States. doi:https://doi.org/10.17188/1652863
The Materials Project. 2020.
"Materials Data on MgAg3 by Materials Project". United States. doi:https://doi.org/10.17188/1652863. https://www.osti.gov/servlets/purl/1652863. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1652863,
title = {Materials Data on MgAg3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ag3Mg is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mg is bonded to twelve Ag atoms to form MgAg12 cuboctahedra that share corners with four equivalent MgAg12 cuboctahedra, edges with eight equivalent MgAg12 cuboctahedra, edges with sixteen equivalent AgMg4Ag8 cuboctahedra, faces with four equivalent MgAg12 cuboctahedra, and faces with eight equivalent AgMg4Ag8 cuboctahedra. There are four shorter (2.90 Å) and eight longer (2.97 Å) Mg–Ag bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a distorted square co-planar geometry to four equivalent Mg and eight equivalent Ag atoms. All Ag–Ag bond lengths are 2.97 Å. In the second Ag site, Ag is bonded to four equivalent Mg and eight Ag atoms to form distorted AgMg4Ag8 cuboctahedra that share corners with twelve equivalent AgMg4Ag8 cuboctahedra, edges with eight equivalent MgAg12 cuboctahedra, edges with eight equivalent AgMg4Ag8 cuboctahedra, faces with four equivalent MgAg12 cuboctahedra, and faces with ten equivalent AgMg4Ag8 cuboctahedra. All Ag–Ag bond lengths are 2.90 Å.},
doi = {10.17188/1652863},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}