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Title: Materials Data on MgAg2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1744940· OSTI ID:1744940

AgAgMg is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to twelve Ag atoms. There are a spread of Mg–Ag bond distances ranging from 3.17–3.28 Å. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded to six equivalent Mg and six equivalent Ag atoms to form a mixture of corner, edge, and face-sharing AgMg6Ag6 cuboctahedra. All Ag–Ag bond lengths are 2.77 Å. In the second Ag site, Ag is bonded to six equivalent Mg and six Ag atoms to form a mixture of corner, edge, and face-sharing AgMg6Ag6 cuboctahedra. There are two shorter (2.72 Å) and two longer (2.88 Å) Ag–Ag bond lengths.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1744940
Report Number(s):
mp-1094121
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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