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Materials Data on DyOF by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1729178· OSTI ID:1729178
DyOF crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Dy3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. There are one shorter (2.27 Å) and three longer (2.28 Å) Dy–O bond lengths. There are three shorter (2.45 Å) and one longer (2.47 Å) Dy–F bond lengths. O2- is bonded to four equivalent Dy3+ atoms to form distorted ODy4 tetrahedra that share corners with six equivalent ODy4 tetrahedra, corners with ten equivalent FDy4 tetrahedra, edges with three equivalent ODy4 tetrahedra, and edges with three equivalent FDy4 tetrahedra. F1- is bonded to four equivalent Dy3+ atoms to form distorted FDy4 tetrahedra that share corners with six equivalent FDy4 tetrahedra, corners with ten equivalent ODy4 tetrahedra, edges with three equivalent ODy4 tetrahedra, and edges with three equivalent FDy4 tetrahedra.
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:
1729178
Report Number(s):
mp-1072208
Country of Publication:
United States
Language:
English

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