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Title: 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.

Authors:
Publication Date:
Other Number(s):
mp-560054
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; LuSBr; Br-Lu-S
OSTI Identifier:
1271240
DOI:
https://doi.org/10.17188/1271240

Citation Formats

The Materials Project. Materials Data on LuSBr by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1271240.
The Materials Project. Materials Data on LuSBr by Materials Project. United States. doi:https://doi.org/10.17188/1271240
The Materials Project. 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 00:00:00 EDT 2020
@article{osti_1271240,
title = {Materials Data on LuSBr by Materials Project},
author = {The 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}
}