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Title: Materials Data on Ca2MgAg3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1715150· OSTI ID:1715150

Ca2MgAg3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca is bonded in a 9-coordinate geometry to four equivalent Ca, three equivalent Mg, and nine equivalent Ag atoms. There are one shorter (3.46 Å) and three longer (3.63 Å) Ca–Ca bond lengths. All Ca–Mg bond lengths are 3.51 Å. There are three shorter (3.28 Å) and six longer (3.47 Å) Ca–Ag bond lengths. Mg is bonded to six equivalent Ca and six equivalent Ag atoms to form a mixture of distorted face and edge-sharing MgCa6Ag6 cuboctahedra. All Mg–Ag bond lengths are 2.87 Å. Ag is bonded in a 12-coordinate geometry to six equivalent Ca, two equivalent Mg, and four equivalent Ag atoms. There are two shorter (2.97 Å) and two longer (3.05 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:
1715150
Report Number(s):
mp-1227417
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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