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Materials Data on ErSiAg by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1680600· OSTI ID:1680600
ErAgSi crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Er3+ is bonded to five Si4- atoms to form a mixture of distorted corner and edge-sharing ErSi5 square pyramids. There are one shorter (2.95 Å) and four longer (2.96 Å) Er–Si bond lengths. Ag1+ is bonded in a 4-coordinate geometry to four Si4- atoms. There are two shorter (2.68 Å) and two longer (2.72 Å) Ag–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Er3+ and three equivalent Ag1+ atoms. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to three equivalent Er3+ and six equivalent Ag1+ atoms.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1680600
Report Number(s):
mp-1084844
Country of Publication:
United States
Language:
English

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