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Materials Data on DySBr by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1202997· OSTI ID:1202997
DySBr crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one DySBr sheet oriented in the (0, 0, 1) direction. Dy3+ is bonded to four equivalent S2- and two equivalent Br1- atoms to form a mixture of edge and corner-sharing DyS4Br2 octahedra. The corner-sharing octahedral tilt angles are 21°. There are two shorter (2.73 Å) and two longer (2.74 Å) Dy–S bond lengths. Both Dy–Br bond lengths are 2.83 Å. S2- is bonded to four equivalent Dy3+ atoms to form a mixture of edge and corner-sharing SDy4 trigonal pyramids. Br1- is bonded in an L-shaped geometry to two equivalent Dy3+ 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:
1202997
Report Number(s):
mp-28928
Country of Publication:
United States
Language:
English

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