U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LuSBr by Materials Project
Abstract
LuSBr crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one LuSBr sheet oriented in the (0, 0, 1) direction. Lu3+ is bonded to two equivalent S2- and four equivalent Br1- atoms to form a mixture of distorted edge and corner-sharing LuS2Br4 octahedra. The corner-sharing octahedral tilt angles are 32°. Both Lu–S bond lengths are 2.45 Å. There are two shorter (2.93 Å) and two longer (3.10 Å) Lu–Br bond lengths. S2- is bonded in a water-like geometry to two equivalent Lu3+ atoms. Br1- is bonded to four equivalent Lu3+ atoms to form a mixture of distorted edge and corner-sharing BrLu4 trigonal pyramids.
- Publication Date:
- Other Number(s):
- mp-560054
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Br-Lu-S; LuSBr; crystal structure
- OSTI Identifier:
- 1271240
- DOI:
- https://doi.org/10.17188/1271240
Citation Formats
Materials Data on LuSBr by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1271240.
Materials Data on LuSBr by Materials Project. United States. doi:https://doi.org/10.17188/1271240
2020.
"Materials Data on LuSBr by Materials Project". United States. doi:https://doi.org/10.17188/1271240. https://www.osti.gov/servlets/purl/1271240. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1271240,
title = {Materials Data on LuSBr by Materials Project},
abstractNote = {LuSBr crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one LuSBr sheet oriented in the (0, 0, 1) direction. Lu3+ is bonded to two equivalent S2- and four equivalent Br1- atoms to form a mixture of distorted edge and corner-sharing LuS2Br4 octahedra. The corner-sharing octahedral tilt angles are 32°. Both Lu–S bond lengths are 2.45 Å. There are two shorter (2.93 Å) and two longer (3.10 Å) Lu–Br bond lengths. S2- is bonded in a water-like geometry to two equivalent Lu3+ atoms. Br1- is bonded to four equivalent Lu3+ atoms to form a mixture of distorted edge and corner-sharing BrLu4 trigonal pyramids.},
doi = {10.17188/1271240},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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