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Materials Data on ScAgO2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1752368· OSTI ID:1752368
ScAgO2 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Sc3+ is bonded to six O2- atoms to form edge-sharing ScO6 octahedra. There are three shorter (2.10 Å) and three longer (2.17 Å) Sc–O bond lengths. Ag1+ is bonded in a 1-coordinate geometry to four O2- atoms. There are one shorter (2.18 Å) and three longer (2.59 Å) Ag–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Sc3+ and one Ag1+ atom to form distorted corner-sharing OSc3Ag tetrahedra. In the second O2- site, O2- is bonded in a 6-coordinate geometry to three equivalent Sc3+ and three 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:
1752368
Report Number(s):
mp-1096798
Country of Publication:
United States
Language:
English

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